4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide

C17H22N2OS2 — CID 46453331

IUPAC4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCCSc1ccccc1
InChIInChI=1S/C17H22N2OS2/c1-12(2)17-19-13(3)15(22-17)16(20)18-10-7-11-21-14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,18,20)
InChIKeyFHTBAFHMUXRZAZ-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.49
Rot. Bonds7

About 4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 46453331) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID46453331
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC Name4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCCSc1ccccc1
InChIInChI=1S/C17H22N2OS2/c1-12(2)17-19-13(3)15(22-17)16(20)18-10-7-11-21-14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,18,20)
InChIKeyFHTBAFHMUXRZAZ-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72837310
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72920355
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
3,5-dimethyl-4-oxo-N-(3-phenylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 38569766
N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46483775
4-methyl-N-[3-(2-methylpropoxy)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 18276457
5-chloro-3-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 4780426
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 20889831
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
4-(methylsulfonylmethyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 26352356
5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 38769023

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 46453331) is 4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NCCCSc1ccccc1.
What is the InChIKey of 4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FHTBAFHMUXRZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-12(2)17-19-13(3)15(22-17)16(20)18-10-7-11-21-14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,18,20).
What are the key properties of 4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 334.51 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46453331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).