N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

C14H18ClN3O3S — CID 102553557

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCO[C@H]1CNCC1NC(=O)c1csc(-c2ccc(C)o2)n1.Cl
InChIInChI=1S/C14H17N3O3S.ClH/c1-8-3-4-11(20-8)14-17-10(7-21-14)13(18)16-9-5-15-6-12(9)19-2;/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,16,18);1H/t9?,12-;/m0./s1
InChIKeyHYIHFKGYTFFVSB-RLOOEAFISA-N
MW343.84 g/mol
LogP1.85
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 102553557) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID102553557
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCO[C@H]1CNCC1NC(=O)c1csc(-c2ccc(C)o2)n1.Cl
InChIInChI=1S/C14H17N3O3S.ClH/c1-8-3-4-11(20-8)14-17-10(7-21-14)13(18)16-9-5-15-6-12(9)19-2;/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,16,18);1H/t9?,12-;/m0./s1
InChIKeyHYIHFKGYTFFVSB-RLOOEAFISA-N
XLogP1.85
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120889232
N-[2-(aminomethyl)cyclohexyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119612433
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 93205481
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119434137
N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119444482
N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 102563097
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119434138
N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 76982257
N-(2-amino-2-ethylbutyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119643826
2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 39905459
N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119568385

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 102553557) is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is CO[C@H]1CNCC1NC(=O)c1csc(-c2ccc(C)o2)n1.Cl.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is HYIHFKGYTFFVSB-RLOOEAFISA-N. The full InChI is InChI=1S/C14H17N3O3S.ClH/c1-8-3-4-11(20-8)14-17-10(7-21-14)13(18)16-9-5-15-6-12(9)19-2;/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,16,18);1H/t9?,12-;/m0./s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 343.84 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 102553557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).