2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine

C9H13ClN2OS — CID 130686313

IUPAC2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
SMILESClc1nc(NCC2CCCOC2)cs1
InChIInChI=1S/C9H13ClN2OS/c10-9-12-8(6-14-9)11-4-7-2-1-3-13-5-7/h6-7,11H,1-5H2
InChIKeyUHGMTYYBMXPPTO-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine

2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine (PubChem CID 130686313) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
PubChem CID130686313
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
SMILESClc1nc(NCC2CCCOC2)cs1
InChIInChI=1S/C9H13ClN2OS/c10-9-12-8(6-14-9)11-4-7-2-1-3-13-5-7/h6-7,11H,1-5H2
InChIKeyUHGMTYYBMXPPTO-UHFFFAOYSA-N
XLogP2.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80954111
6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63960908
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 114475438
N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79419740
2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
CID 131134692
2,6-dichloro-N-(oxan-3-ylmethyl)aniline
CID 65469527
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 115592245
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
6-chloro-N-(oxan-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 63739309
3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 61020967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine (CID 130686313) is 2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine is Clc1nc(NCC2CCCOC2)cs1.
What is the InChIKey of 2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine?
The InChIKey is UHGMTYYBMXPPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c10-9-12-8(6-14-9)11-4-7-2-1-3-13-5-7/h6-7,11H,1-5H2.
What are the key properties of 2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine?
2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine has a molecular weight of 232.74 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 130686313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).