5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide

C16H17N3O3S2 — CID 20635330

IUPAC5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(N)=O
InChIInChI=1S/C16H17N3O3S2/c1-8-5-11(22-2)10(14(17)20)6-12(8)23-13-7-18-16(24-13)19-15(21)9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H2,17,20)(H,18,19,21)
InChIKeyHRASMUJUXWNRMA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.06
Rot. Bonds6

About 5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide

5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide (PubChem CID 20635330) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound Name5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide
PubChem CID20635330
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(N)=O
InChIInChI=1S/C16H17N3O3S2/c1-8-5-11(22-2)10(14(17)20)6-12(8)23-13-7-18-16(24-13)19-15(21)9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H2,17,20)(H,18,19,21)
InChIKeyHRASMUJUXWNRMA-UHFFFAOYSA-N
XLogP3.06
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-methoxy-2-methyl-5-(3-methyl-4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 142348012
N-[5-[4-methoxy-2-methyl-5-[(5S)-8-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]acetamide
CID 148992056
N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-1-hydroxycyclopropane-1-carboxamide
CID 20635516
2-methoxy-4-methyl-5-[[2-(pyrazin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzoic acid
CID 177216773
N-[5-[4-methoxy-2-methyl-5-[4-(2-methylpropanoyl)-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 142348020
N-[5-[5-[(3R)-4-formyl-3-methyl-1,4-diazepane-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]formamide
CID 134518138
N-[5-[4-methoxy-2-methyl-5-[(1S,5R)-3-prop-2-enoyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 134517424
N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 134517721
N-[5-[5-(3,3-dimethyl-4-prop-2-enoylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]acetamide
CID 134517994
4-(4-cyclobutylcyclohexyl)oxy-N-[5-(5-formyl-4-methoxy-2-methylphenyl)sulfanyl-1,3-thiazol-2-yl]benzamide
CID 166912853
N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 168849856
1-[4-[5-[[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazin-1-yl]ethanone
CID 22170423

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide?
The IUPAC name of 5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide (CID 20635330) is 5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide.
What is the SMILES notation for 5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide?
The canonical SMILES for 5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide is COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(N)=O.
What is the InChIKey of 5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide?
The InChIKey is HRASMUJUXWNRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-8-5-11(22-2)10(14(17)20)6-12(8)23-13-7-18-16(24-13)19-15(21)9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H2,17,20)(H,18,19,21).
What are the key properties of 5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide?
5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 20635330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).