2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine

C9H16N2S — CID 82431180

IUPAC2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine
SMILESCCCc1ncsc1C(C)(C)N
InChIInChI=1S/C9H16N2S/c1-4-5-7-8(9(2,3)10)12-6-11-7/h6H,4-5,10H2,1-3H3
InChIKeyVDPBVSDAAVFMKE-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.29
Rot. Bonds3

About 2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine

2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine (PubChem CID 82431180) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine
PubChem CID82431180
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine
SMILESCCCc1ncsc1C(C)(C)N
InChIInChI=1S/C9H16N2S/c1-4-5-7-8(9(2,3)10)12-6-11-7/h6H,4-5,10H2,1-3H3
InChIKeyVDPBVSDAAVFMKE-UHFFFAOYSA-N
XLogP2.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-1,3-thiazole-5-carboximidamide
CID 82431173
2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine
CID 82432448
4-(cyclopropylmethyl)-5-propyl-1,3-thiazole
CID 88974495
2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432070
1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine
CID 82382580
2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432590
2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82431968
1-(5-bromo-1,3-thiazol-4-yl)-2-methylpropan-2-amine
CID 23553551
4-ethyl-5-methyl-1,3-thiazole;methanamine
CID 142407721
4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
CID 91428645
5-methyl-4-octyl-1,3-thiazole
CID 166842414
4-fluoro-5-propyl-1,3-thiazole
CID 67474828

Frequently Asked Questions

What is the IUPAC name of 2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine (CID 82431180) is 2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine is CCCc1ncsc1C(C)(C)N.
What is the InChIKey of 2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is VDPBVSDAAVFMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-5-7-8(9(2,3)10)12-6-11-7/h6H,4-5,10H2,1-3H3.
What are the key properties of 2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine?
2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 82431180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).