N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide

C19H20F3N5O2S — CID 155523288

IUPACN-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cn2)[nH]c1C(=O)NC(C)(CN)c1nc(CO)cs1
InChIInChI=1S/C19H20F3N5O2S/c1-10-5-14(13-4-3-11(6-24-13)19(20,21)22)26-15(10)16(29)27-18(2,9-23)17-25-12(7-28)8-30-17/h3-6,8,26,28H,7,9,23H2,1-2H3,(H,27,29)
InChIKeyRTDDQQACWDDEOX-UHFFFAOYSA-N
MW439.46 g/mol
LogP2.96
Rot. Bonds6

About N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide

N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide (PubChem CID 155523288) has the molecular formula C19H20F3N5O2S and a molecular weight of 439.46 g/mol. Its IUPAC name is N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
PubChem CID155523288
Molecular FormulaC19H20F3N5O2S
Molecular Weight439.46 g/mol
Exact Mass439.13
IUPAC NameN-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(-c2ccc(C(F)(F)F)cn2)[nH]c1C(=O)NC(C)(CN)c1nc(CO)cs1
InChIInChI=1S/C19H20F3N5O2S/c1-10-5-14(13-4-3-11(6-24-13)19(20,21)22)26-15(10)16(29)27-18(2,9-23)17-25-12(7-28)8-30-17/h3-6,8,26,28H,7,9,23H2,1-2H3,(H,27,29)
InChIKeyRTDDQQACWDDEOX-UHFFFAOYSA-N
XLogP2.96
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
CID 155519544
CID 155547374
CID 155547374
N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 157010556
N-[2-amino-1-[5-(hydroxymethyl)thiazol-2-yl]ethyl]-5-(4-chloro-3-fluoro-phenyl)-1H-pyrrole-2-carboxamide
CID 118970233
5-(3-fluoro-4-methyl-phenyl)-N-[1-[5-(hydroxymethyl)-4-methyl-thiazol-2-yl]-2-(methylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 118970409
5-(4-chloro-3,5-difluoro-phenyl)-N-[1-[5-(hydroxymethyl)thiazol-2-yl]-2-(methylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 129909044
N-[2-amino-1-[5-(hydroxymethyl)thiazol-2-yl]ethyl]-5-(4-chloro-3,5-difluoro-phenyl)-1H-pyrrole-2-carboxamide
CID 129909153
5-(4-chloro-3-fluoro-phenyl)-N-[1-[5-(hydroxymethyl)thiazol-2-yl]-2-(methylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 129909188
5-(3-fluoro-4-methyl-phenyl)-N-[1-[5-(hydroxymethyl)thiazol-2-yl]-2-(methylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 129909189
N-[2-amino-1-[5-(hydroxymethyl)thiazol-2-yl]ethyl]-5-(3-fluoro-4-methyl-phenyl)-1H-pyrrole-2-carboxamide
CID 129909326
(5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide
CID 155562750
N-[(1R)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]-5-(3-fluoro-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 134134455

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide (CID 155523288) is N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide is Cc1cc(-c2ccc(C(F)(F)F)cn2)[nH]c1C(=O)NC(C)(CN)c1nc(CO)cs1.
What is the InChIKey of N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RTDDQQACWDDEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2S/c1-10-5-14(13-4-3-11(6-24-13)19(20,21)22)26-15(10)16(29)27-18(2,9-23)17-25-12(7-28)8-30-17/h3-6,8,26,28H,7,9,23H2,1-2H3,(H,27,29).
What are the key properties of N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide?
N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]propan-2-yl]-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 155523288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).