N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C14H18N4O3S2 — CID 52567951

IUPACN-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(C)nc2C)n([C@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C14H18N4O3S2/c1-8-6-12(16-14(19)13-9(2)15-10(3)22-13)18(17-8)11-4-5-23(20,21)7-11/h6,11H,4-5,7H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyASMMNOGSVWGMRV-NSHDSACASA-N
MW354.46 g/mol
LogP1.88
Rot. Bonds3

About N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 52567951) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID52567951
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC NameN-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(C)nc2C)n([C@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C14H18N4O3S2/c1-8-6-12(16-14(19)13-9(2)15-10(3)22-13)18(17-8)11-4-5-23(20,21)7-11/h6,11H,4-5,7H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyASMMNOGSVWGMRV-NSHDSACASA-N
XLogP1.88
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 52567951) is N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2sc(C)nc2C)n([C@H]2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is ASMMNOGSVWGMRV-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-8-6-12(16-14(19)13-9(2)15-10(3)22-13)18(17-8)11-4-5-23(20,21)7-11/h6,11H,4-5,7H2,1-3H3,(H,16,19)/t11-/m0/s1.
What are the key properties of N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 52567951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).