4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

C14H16N2OS2 — CID 22170516

IUPAC4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1
InChIInChI=1S/C14H16N2OS2/c1-9(2)12-8-15-14(19-12)16-13(17)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3,(H,15,16,17)
InChIKeyASLHCQSMJYIINV-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.24
Rot. Bonds4

About 4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 22170516) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID22170516
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1
InChIInChI=1S/C14H16N2OS2/c1-9(2)12-8-15-14(19-12)16-13(17)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3,(H,15,16,17)
InChIKeyASLHCQSMJYIINV-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170724
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170568
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170799
4-[(2-phenylsulfanylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170823
3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540
3-chloro-4-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170659
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylsulfanylbenzamide
CID 7565329
3-nitro-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170547
4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170550

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 22170516) is 4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is CSc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ASLHCQSMJYIINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-9(2)12-8-15-14(19-12)16-13(17)10-4-6-11(18-3)7-5-10/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of 4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 292.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22170516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).