1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride

C12H15ClN2S2 — CID 21478143

IUPAC1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
SMILESCC(N)CSc1nc(-c2ccccc2)cs1.Cl
InChIInChI=1S/C12H14N2S2.ClH/c1-9(13)7-15-12-14-11(8-16-12)10-5-3-2-4-6-10;/h2-6,8-9H,7,13H2,1H3;1H
InChIKeyYHMNJDOYNVOAIV-UHFFFAOYSA-N
MW286.85 g/mol
LogP3.67
Rot. Bonds4

About 1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride

1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride (PubChem CID 21478143) has the molecular formula C12H15ClN2S2 and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
PubChem CID21478143
Molecular FormulaC12H15ClN2S2
Molecular Weight286.85 g/mol
Exact Mass286.04
IUPAC Name1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
SMILESCC(N)CSc1nc(-c2ccccc2)cs1.Cl
InChIInChI=1S/C12H14N2S2.ClH/c1-9(13)7-15-12-14-11(8-16-12)10-5-3-2-4-6-10;/h2-6,8-9H,7,13H2,1H3;1H
InChIKeyYHMNJDOYNVOAIV-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 67771453
4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
CID 71899247
(2R)-1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride
CID 22858328
1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79819598
3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965041
5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole
CID 33001886
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3401404
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride (CID 21478143) is 1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride is CC(N)CSc1nc(-c2ccccc2)cs1.Cl.
What is the InChIKey of 1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride?
The InChIKey is YHMNJDOYNVOAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2.ClH/c1-9(13)7-15-12-14-11(8-16-12)10-5-3-2-4-6-10;/h2-6,8-9H,7,13H2,1H3;1H.
What are the key properties of 1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride?
1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride has a molecular weight of 286.85 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 21478143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).