N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine

C7H11ClN2S — CID 66223891

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ncc(Cl)s1
InChIInChI=1S/C7H11ClN2S/c1-5(2)9-4-7-10-3-6(8)11-7/h3,5,9H,4H2,1-2H3
InChIKeyVPFDAFBXCTXETL-UHFFFAOYSA-N
MW190.70 g/mol
LogP2.29
Rot. Bonds3

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 66223891) has the molecular formula C7H11ClN2S and a molecular weight of 190.70 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID66223891
Molecular FormulaC7H11ClN2S
Molecular Weight190.70 g/mol
Exact Mass190.03
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ncc(Cl)s1
InChIInChI=1S/C7H11ClN2S/c1-5(2)9-4-7-10-3-6(8)11-7/h3,5,9H,4H2,1-2H3
InChIKeyVPFDAFBXCTXETL-UHFFFAOYSA-N
XLogP2.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.70
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 107124162
(1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine
CID 107124106
N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223893
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide
CID 104879366
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide
CID 104878456
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104878840
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide
CID 104878455
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 104879543
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 104878345
N-[(5-chloro-1,3-thiazol-2-yl)methyl]prop-2-yn-1-amine
CID 104878439
1-(5-chloro-1,3-thiazol-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine
CID 107124099
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 66223891) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine is CC(C)NCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is VPFDAFBXCTXETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2S/c1-5(2)9-4-7-10-3-6(8)11-7/h3,5,9H,4H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 190.70 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 N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66223891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).