2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine

C12H14ClN3S — CID 63752258

IUPAC2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
SMILESCc1nc(C)c(C(C)Nc2cccnc2Cl)s1
InChIInChI=1S/C12H14ClN3S/c1-7-11(17-9(3)15-7)8(2)16-10-5-4-6-14-12(10)13/h4-6,8,16H,1-3H3
InChIKeyXPCZEEADSJJVFR-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.98
Rot. Bonds3

About 2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine

2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine (PubChem CID 63752258) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
PubChem CID63752258
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
SMILESCc1nc(C)c(C(C)Nc2cccnc2Cl)s1
InChIInChI=1S/C12H14ClN3S/c1-7-11(17-9(3)15-7)8(2)16-10-5-4-6-14-12(10)13/h4-6,8,16H,1-3H3
InChIKeyXPCZEEADSJJVFR-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine (CID 63752258) is 2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine is Cc1nc(C)c(C(C)Nc2cccnc2Cl)s1.
What is the InChIKey of 2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine?
The InChIKey is XPCZEEADSJJVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-7-11(17-9(3)15-7)8(2)16-10-5-4-6-14-12(10)13/h4-6,8,16H,1-3H3.
What are the key properties of 2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine?
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine has a molecular weight of 267.78 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 63752258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).