2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C13H14N4O3S2 — CID 843725

IUPAC2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=S)NC(=O)c2ccco2)sc1C(=O)N(C)C
InChIInChI=1S/C13H14N4O3S2/c1-7-9(11(19)17(2)3)22-13(14-7)16-12(21)15-10(18)8-5-4-6-20-8/h4-6H,1-3H3,(H2,14,15,16,18,21)
InChIKeyFMFVWJWZRXZWQT-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.87
Rot. Bonds3

About 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 843725) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID843725
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC Name2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=S)NC(=O)c2ccco2)sc1C(=O)N(C)C
InChIInChI=1S/C13H14N4O3S2/c1-7-9(11(19)17(2)3)22-13(14-7)16-12(21)15-10(18)8-5-4-6-20-8/h4-6H,1-3H3,(H2,14,15,16,18,21)
InChIKeyFMFVWJWZRXZWQT-UHFFFAOYSA-N
XLogP1.87
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843956
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515250
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 875146
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3285189
N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 953520
N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 110439852
N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468179
2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226434
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 39350111
2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 39735335
N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
CID 145489196

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 843725) is 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=S)NC(=O)c2ccco2)sc1C(=O)N(C)C.
What is the InChIKey of 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is FMFVWJWZRXZWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c1-7-9(11(19)17(2)3)22-13(14-7)16-12(21)15-10(18)8-5-4-6-20-8/h4-6H,1-3H3,(H2,14,15,16,18,21).
What are the key properties of 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 843725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).