benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate

C16H14N4O3S2 — CID 21008271

IUPACbenzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCc1nnsc1C(=O)Nc1nc(C)c(C(=O)OCc2ccccc2)s1
InChIInChI=1S/C16H14N4O3S2/c1-9-13(15(22)23-8-11-6-4-3-5-7-11)24-16(17-9)18-14(21)12-10(2)19-20-25-12/h3-7H,8H2,1-2H3,(H,17,18,21)
InChIKeySHUNFIACKUANAZ-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.22
Rot. Bonds5

About benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate

benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 21008271) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namebenzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID21008271
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Namebenzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCc1nnsc1C(=O)Nc1nc(C)c(C(=O)OCc2ccccc2)s1
InChIInChI=1S/C16H14N4O3S2/c1-9-13(15(22)23-8-11-6-4-3-5-7-11)24-16(17-9)18-14(21)12-10(2)19-20-25-12/h3-7H,8H2,1-2H3,(H,17,18,21)
InChIKeySHUNFIACKUANAZ-UHFFFAOYSA-N
XLogP3.22
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-methyl-2-(phenylmethoxycarbonylamino)-1,3-thiazole-5-carboxylate
CID 53419430
benzyl 4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 110442130
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
prop-2-enyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 110441503
benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108793940
benzyl 2-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108796083
benzyl 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 21008666
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 43989134
4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide
CID 176908653
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045

Frequently Asked Questions

What is the IUPAC name of benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 21008271) is benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate is Cc1nnsc1C(=O)Nc1nc(C)c(C(=O)OCc2ccccc2)s1.
What is the InChIKey of benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is SHUNFIACKUANAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-9-13(15(22)23-8-11-6-4-3-5-7-11)24-16(17-9)18-14(21)12-10(2)19-20-25-12/h3-7H,8H2,1-2H3,(H,17,18,21).
What are the key properties of benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate?
benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 374.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 21008271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).