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

C17H19N5O2S — CID 155524424

IUPACN-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N[C@H](CN)c3nc(CO)cs3)[nH]2)nc1
InChIInChI=1S/C17H19N5O2S/c1-10-2-3-12(19-7-10)13-4-5-14(21-13)16(24)22-15(6-18)17-20-11(8-23)9-25-17/h2-5,7,9,15,21,23H,6,8,18H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyQSUMCHPFVGQYRS-OAHLLOKOSA-N
MW357.44 g/mol
LogP1.76
Rot. Bonds6

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

N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 155524424) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID155524424
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N[C@H](CN)c3nc(CO)cs3)[nH]2)nc1
InChIInChI=1S/C17H19N5O2S/c1-10-2-3-12(19-7-10)13-4-5-14(21-13)16(24)22-15(6-18)17-20-11(8-23)9-25-17/h2-5,7,9,15,21,23H,6,8,18H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyQSUMCHPFVGQYRS-OAHLLOKOSA-N
XLogP1.76
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide (CID 155524424) is N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide is Cc1ccc(-c2ccc(C(=O)N[C@H](CN)c3nc(CO)cs3)[nH]2)nc1.
What is the InChIKey of N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is QSUMCHPFVGQYRS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-10-2-3-12(19-7-10)13-4-5-14(21-13)16(24)22-15(6-18)17-20-11(8-23)9-25-17/h2-5,7,9,15,21,23H,6,8,18H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(5-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 155524424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).