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

C9H7Cl2N3S — CID 104877929

IUPAC6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
SMILESClc1ccc(NCc2ncc(Cl)s2)cn1
InChIInChI=1S/C9H7Cl2N3S/c10-7-2-1-6(3-13-7)12-5-9-14-4-8(11)15-9/h1-4,12H,5H2
InChIKeyRPRLEBQOGUWFCS-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.46
Rot. Bonds3

About 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine

6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine (PubChem CID 104877929) has the molecular formula C9H7Cl2N3S and a molecular weight of 260.15 g/mol. Its IUPAC name is 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
PubChem CID104877929
Molecular FormulaC9H7Cl2N3S
Molecular Weight260.15 g/mol
Exact Mass258.97
IUPAC Name6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
SMILESClc1ccc(NCc2ncc(Cl)s2)cn1
InChIInChI=1S/C9H7Cl2N3S/c10-7-2-1-6(3-13-7)12-5-9-14-4-8(11)15-9/h1-4,12H,5H2
InChIKeyRPRLEBQOGUWFCS-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.46
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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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
CID 104878720
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
CID 104877930
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
CID 107095648
[4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 107124007
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921583
3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline
CID 104879426
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 107123995
2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline
CID 104921573
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline
CID 104921572
3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 104921789
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine (CID 104877929) is 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine is Clc1ccc(NCc2ncc(Cl)s2)cn1.
What is the InChIKey of 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine?
The InChIKey is RPRLEBQOGUWFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3S/c10-7-2-1-6(3-13-7)12-5-9-14-4-8(11)15-9/h1-4,12H,5H2.
What are the key properties of 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine?
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine has a molecular weight of 260.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 104877929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).