2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

C15H18N4O3S — CID 70777145

IUPAC2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)N[C@@H]1CN(c2nc(C(N)=O)cs2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C15H18N4O3S/c1-8-3-4-13(22-8)10-5-19(6-11(10)17-9(2)20)15-18-12(7-23-15)14(16)21/h3-4,7,10-11H,5-6H2,1-2H3,(H2,16,21)(H,17,20)/t10-,11-/m1/s1
InChIKeyIVQZULNUXLHTPL-GHMZBOCLSA-N
MW334.40 g/mol
LogP1.25
Rot. Bonds4

About 2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 70777145) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID70777145
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)N[C@@H]1CN(c2nc(C(N)=O)cs2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C15H18N4O3S/c1-8-3-4-13(22-8)10-5-19(6-11(10)17-9(2)20)15-18-12(7-23-15)14(16)21/h3-4,7,10-11H,5-6H2,1-2H3,(H2,16,21)(H,17,20)/t10-,11-/m1/s1
InChIKeyIVQZULNUXLHTPL-GHMZBOCLSA-N
XLogP1.25
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 51079655
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CID 70723311
N-[(3S*,4R*)-1-{[2-(methylamino)-1,3-thiazol-4-yl]methyl}-4-(5-methyl-2-furyl)-3-pyrrolidinyl]acetamide
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2-acetamido-N-[1-(furan-2-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 45816340
3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one
CID 164641689
(2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
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N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559964
3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 40019635
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CID 55976288
2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16668123
5-(Furan-2-ylmethyl)-5-[3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 126463814

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (CID 70777145) is 2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is CC(=O)N[C@@H]1CN(c2nc(C(N)=O)cs2)C[C@H]1c1ccc(C)o1.
What is the InChIKey of 2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is IVQZULNUXLHTPL-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-8-3-4-13(22-8)10-5-19(6-11(10)17-9(2)20)15-18-12(7-23-15)14(16)21/h3-4,7,10-11H,5-6H2,1-2H3,(H2,16,21)(H,17,20)/t10-,11-/m1/s1.
What are the key properties of 2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-acetamido-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70777145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).