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

C6H9ClN2S — CID 66220871

IUPAC1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(N)c1ncc(Cl)s1
InChIInChI=1S/C6H9ClN2S/c1-2-4(8)6-9-3-5(7)10-6/h3-4H,2,8H2,1H3
InChIKeyXGAZGZPJCPYLEO-UHFFFAOYSA-N
MW176.67 g/mol
LogP2.21
Rot. Bonds2

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

1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 66220871) has the molecular formula C6H9ClN2S and a molecular weight of 176.67 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine
PubChem CID66220871
Molecular FormulaC6H9ClN2S
Molecular Weight176.67 g/mol
Exact Mass176.02
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(N)c1ncc(Cl)s1
InChIInChI=1S/C6H9ClN2S/c1-2-4(8)6-9-3-5(7)10-6/h3-4H,2,8H2,1H3
InChIKeyXGAZGZPJCPYLEO-UHFFFAOYSA-N
XLogP2.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-Thiazol-2-yl)ethan-1-amine
CID 19896985
1-(1,3-Thiazol-2-yl)ethan-1-amine hydrochloride
CID 56777102
1-(5-Chloro-1,3-thiazol-2-yl)methanamine hydrochloride
CID 74890022
1-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 43558941
1-(5-Chloro-1,3-thiazol-2-yl)propan-1-amine hydrochloride
CID 165589647
(1R)-1-(1,3-thiazol-2-yl)propan-1-amine dihydrochloride
CID 170911662
(1S)-1-(1,3-thiazol-2-yl)propan-1-amine dihydrochloride
CID 170912706
(alphaS)-alpha-Methyl-2-thiazolemethanamine
CID 10725371
(5-Chlorothiazol-2-YL)methanamine
CID 64984934
(1R)-1-(5-bromo-1,3-thiazol-2-yl)ethanamine hydrochloride
CID 68156351
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 104879265
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 104879274

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine (CID 66220871) is 1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine is CCC(N)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is XGAZGZPJCPYLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S/c1-2-4(8)6-9-3-5(7)10-6/h3-4H,2,8H2,1H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine?
1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 176.67 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 66220871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).