1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine

C16H22N2S2 — CID 79819598

IUPAC1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)CSCC(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H22N2S2/c1-12(2)9-19-10-14(17)8-16-18-15(11-20-16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,17H2,1-2H3
InChIKeyKLXCLMPYRHDXBQ-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.07
Rot. Bonds7

About 1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine

1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79819598) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID79819598
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC Name1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)CSCC(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H22N2S2/c1-12(2)9-19-10-14(17)8-16-18-15(11-20-16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,17H2,1-2H3
InChIKeyKLXCLMPYRHDXBQ-UHFFFAOYSA-N
XLogP4.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79825749
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819900
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105006711
3-methyl-N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012215
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016
(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 67771453
1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 21478143
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine (CID 79819598) is 1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine is CC(C)CSCC(N)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is KLXCLMPYRHDXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c1-12(2)9-19-10-14(17)8-16-18-15(11-20-16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,17H2,1-2H3.
What are the key properties of 1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 306.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79819598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).