N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide

C20H22N4O3S — CID 95089021

IUPACN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1csc(-c2ccnc(N3CCOCC3)c2)n1
InChIInChI=1S/C20H22N4O3S/c1-14(11-16-3-2-8-27-16)22-19(25)17-13-28-20(23-17)15-4-5-21-18(12-15)24-6-9-26-10-7-24/h2-5,8,12-14H,6-7,9-11H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyUXBGGFOXIUWCLC-AWEZNQCLSA-N
MW398.49 g/mol
LogP3.00
Rot. Bonds6

About N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide

N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 95089021) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID95089021
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1csc(-c2ccnc(N3CCOCC3)c2)n1
InChIInChI=1S/C20H22N4O3S/c1-14(11-16-3-2-8-27-16)22-19(25)17-13-28-20(23-17)15-4-5-21-18(12-15)24-6-9-26-10-7-24/h2-5,8,12-14H,6-7,9-11H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyUXBGGFOXIUWCLC-AWEZNQCLSA-N
XLogP3.00
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-morpholin-4-yl-4-pyridinyl)-N-[(2R)-4-phenylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95089020
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 95089018
N-butyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119268
N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119274
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53119289
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119200
N-(4-fluorophenyl)-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119213
N-(2,4-dimethylphenyl)-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119227
N-[(2,4-dimethoxyphenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119281
2-(3-chlorophenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 55683273
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
N-[(5-methylfuran-2-yl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036732

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (CID 95089021) is N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is C[C@@H](Cc1ccco1)NC(=O)c1csc(-c2ccnc(N3CCOCC3)c2)n1.
What is the InChIKey of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UXBGGFOXIUWCLC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14(11-16-3-2-8-27-16)22-19(25)17-13-28-20(23-17)15-4-5-21-18(12-15)24-6-9-26-10-7-24/h2-5,8,12-14H,6-7,9-11H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95089021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).