(5-propan-2-yl-1,2-thiazol-4-yl)methanamine

C7H12N2S — CID 82416048

IUPAC(5-propan-2-yl-1,2-thiazol-4-yl)methanamine
SMILESCC(C)c1sncc1CN
InChIInChI=1S/C7H12N2S/c1-5(2)7-6(3-8)4-9-10-7/h4-5H,3,8H2,1-2H3
InChIKeySIPAFIONUVZOGB-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.73
Rot. Bonds2

About (5-propan-2-yl-1,2-thiazol-4-yl)methanamine

(5-propan-2-yl-1,2-thiazol-4-yl)methanamine (PubChem CID 82416048) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is (5-propan-2-yl-1,2-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-propan-2-yl-1,2-thiazol-4-yl)methanamine
PubChem CID82416048
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name(5-propan-2-yl-1,2-thiazol-4-yl)methanamine
SMILESCC(C)c1sncc1CN
InChIInChI=1S/C7H12N2S/c1-5(2)7-6(3-8)4-9-10-7/h4-5H,3,8H2,1-2H3
InChIKeySIPAFIONUVZOGB-UHFFFAOYSA-N
XLogP1.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1,2-thiazol-4-yl)methanamine
CID 82418736
4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole
CID 131984210
5-(aminomethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82502995
[2,4-di(propan-2-yl)pyrimidin-5-yl]methanamine
CID 82505175
(4-chloro-2-propan-2-ylpyrimidin-5-yl)methanamine
CID 83851947
(4-methylsulfonyl-2-propan-2-ylpyrimidin-5-yl)methanamine
CID 83852543
5-chloro-4-(2-methylpropyl)-1,2-thiazole
CID 140701370
5-propan-2-yl-1,2-benzothiazol-6-amine
CID 155036239
[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine
CID 66440927
3-(4-chloro-1,2-thiazol-5-yl)butanoic acid
CID 84673770
6-(aminomethyl)-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115025128
2-(4-bromo-1,2-thiazol-5-yl)propanoic acid
CID 165495400

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1,2-thiazol-4-yl)methanamine?
The IUPAC name of (5-propan-2-yl-1,2-thiazol-4-yl)methanamine (CID 82416048) is (5-propan-2-yl-1,2-thiazol-4-yl)methanamine.
What is the SMILES notation for (5-propan-2-yl-1,2-thiazol-4-yl)methanamine?
The canonical SMILES for (5-propan-2-yl-1,2-thiazol-4-yl)methanamine is CC(C)c1sncc1CN.
What is the InChIKey of (5-propan-2-yl-1,2-thiazol-4-yl)methanamine?
The InChIKey is SIPAFIONUVZOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(2)7-6(3-8)4-9-10-7/h4-5H,3,8H2,1-2H3.
What are the key properties of (5-propan-2-yl-1,2-thiazol-4-yl)methanamine?
(5-propan-2-yl-1,2-thiazol-4-yl)methanamine has a molecular weight of 156.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1,2-thiazol-4-yl)methanamine is sourced from PubChem (CID 82416048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).