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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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).