N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide

C17H30N4O2S — CID 117085367

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(N2CCCC2CO)s1)C(C)C
InChIInChI=1S/C17H30N4O2S/c1-12(2)20(13(3)4)9-7-18-16(23)15-10-19-17(24-15)21-8-5-6-14(21)11-22/h10,12-14,22H,5-9,11H2,1-4H3,(H,18,23)
InChIKeyFENYUPJZIIURPB-UHFFFAOYSA-N
MW354.52 g/mol
LogP1.95
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 117085367) has the molecular formula C17H30N4O2S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID117085367
Molecular FormulaC17H30N4O2S
Molecular Weight354.52 g/mol
Exact Mass354.21
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(N2CCCC2CO)s1)C(C)C
InChIInChI=1S/C17H30N4O2S/c1-12(2)20(13(3)4)9-7-18-16(23)15-10-19-17(24-15)21-8-5-6-14(21)11-22/h10,12-14,22H,5-9,11H2,1-4H3,(H,18,23)
InChIKeyFENYUPJZIIURPB-UHFFFAOYSA-N
XLogP1.95
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3S)-3-aminopyrrolidin-1-yl]-1,3-thiazol-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 178314538
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-thiazol-5-yl]methanone
CID 178319516
N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117078900
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117080345
2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
CID 117080773
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
CID 117080991
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117082069
N-(2-hydroxyethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117082139
2-(ethylamino)-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 117082458
2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117083232
2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117084668
N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117084688

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (CID 117085367) is N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide is CC(C)N(CCNC(=O)c1cnc(N2CCCC2CO)s1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is FENYUPJZIIURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2S/c1-12(2)20(13(3)4)9-7-18-16(23)15-10-19-17(24-15)21-8-5-6-14(21)11-22/h10,12-14,22H,5-9,11H2,1-4H3,(H,18,23).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 354.52 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117085367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).