N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide

C16H20N4O2S2 — CID 31044771

IUPACN,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc([C@@H]3CCCN3)s2)sc1C(=O)N(C)C
InChIInChI=1S/C16H20N4O2S2/c1-9-13(15(22)20(2)3)24-16(18-9)19-14(21)12-7-6-11(23-12)10-5-4-8-17-10/h6-7,10,17H,4-5,8H2,1-3H3,(H,18,19,21)/t10-/m0/s1
InChIKeyTZLVFADIEHFGNR-JTQLQIEISA-N
MW364.50 g/mol
LogP2.89
Rot. Bonds4

About N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 31044771) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID31044771
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC NameN,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc([C@@H]3CCCN3)s2)sc1C(=O)N(C)C
InChIInChI=1S/C16H20N4O2S2/c1-9-13(15(22)20(2)3)24-16(18-9)19-14(21)12-7-6-11(23-12)10-5-4-8-17-10/h6-7,10,17H,4-5,8H2,1-3H3,(H,18,19,21)/t10-/m0/s1
InChIKeyTZLVFADIEHFGNR-JTQLQIEISA-N
XLogP2.89
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
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N-(6-oxo-1H-pyridin-3-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166305537
N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
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methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate
CID 45251024
2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 31044771) is N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccc([C@@H]3CCCN3)s2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is TZLVFADIEHFGNR-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-9-13(15(22)20(2)3)24-16(18-9)19-14(21)12-7-6-11(23-12)10-5-4-8-17-10/h6-7,10,17H,4-5,8H2,1-3H3,(H,18,19,21)/t10-/m0/s1.
What are the key properties of N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 364.50 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 31044771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).