N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide

C15H19N3O3S — CID 171357971

IUPACN-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC[C@@](NC(=O)c1csc(-c2ccoc2)n1)(C(N)=O)C(C)C
InChIInChI=1S/C15H19N3O3S/c1-4-15(9(2)3,14(16)20)18-12(19)11-8-22-13(17-11)10-5-6-21-7-10/h5-9H,4H2,1-3H3,(H2,16,20)(H,18,19)/t15-/m0/s1
InChIKeyQMRYTJPWUAWXCS-HNNXBMFYSA-N
MW321.40 g/mol
LogP2.42
Rot. Bonds6

About N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide

N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 171357971) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID171357971
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC[C@@](NC(=O)c1csc(-c2ccoc2)n1)(C(N)=O)C(C)C
InChIInChI=1S/C15H19N3O3S/c1-4-15(9(2)3,14(16)20)18-12(19)11-8-22-13(17-11)10-5-6-21-7-10/h5-9H,4H2,1-3H3,(H2,16,20)(H,18,19)/t15-/m0/s1
InChIKeyQMRYTJPWUAWXCS-HNNXBMFYSA-N
XLogP2.42
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide (CID 171357971) is N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide is CC[C@@](NC(=O)c1csc(-c2ccoc2)n1)(C(N)=O)C(C)C.
What is the InChIKey of N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QMRYTJPWUAWXCS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-4-15(9(2)3,14(16)20)18-12(19)11-8-22-13(17-11)10-5-6-21-7-10/h5-9H,4H2,1-3H3,(H2,16,20)(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171357971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).