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

C15H16N4O2S2 — CID 843956

IUPAC2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=S)NC(=O)c2ccccc2)sc1C(=O)N(C)C
InChIInChI=1S/C15H16N4O2S2/c1-9-11(13(21)19(2)3)23-15(16-9)18-14(22)17-12(20)10-7-5-4-6-8-10/h4-8H,1-3H3,(H2,16,17,18,20,22)
InChIKeyFEQZWDMRVRMZPD-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.28
Rot. Bonds3

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

2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 843956) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID843956
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=S)NC(=O)c2ccccc2)sc1C(=O)N(C)C
InChIInChI=1S/C15H16N4O2S2/c1-9-11(13(21)19(2)3)23-15(16-9)18-14(22)17-12(20)10-7-5-4-6-8-10/h4-8H,1-3H3,(H2,16,17,18,20,22)
InChIKeyFEQZWDMRVRMZPD-UHFFFAOYSA-N
XLogP2.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843725
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 87544011
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3285189
N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 693358
N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
CID 145489196
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
ethyl 2-[(4-fluorobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2282070
ethyl 2-[(4-chlorobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2281451
2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 142147683
N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 110439852
N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide
CID 155918840

Frequently Asked Questions

What is the IUPAC name of 2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 843956) is 2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=S)NC(=O)c2ccccc2)sc1C(=O)N(C)C.
What is the InChIKey of 2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is FEQZWDMRVRMZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-9-11(13(21)19(2)3)23-15(16-9)18-14(22)17-12(20)10-7-5-4-6-8-10/h4-8H,1-3H3,(H2,16,17,18,20,22).
What are the key properties of 2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 843956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).