4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine

C13H13ClN4S — CID 87196759

IUPAC4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
SMILESClc1ncccc1-c1csc(NC2=NCCCC2)n1
InChIInChI=1S/C13H13ClN4S/c14-12-9(4-3-7-16-12)10-8-19-13(17-10)18-11-5-1-2-6-15-11/h3-4,7-8H,1-2,5-6H2,(H,15,17,18)
InChIKeyVKUXQCUDKAOXDK-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.85
Rot. Bonds2

About 4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine

4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 87196759) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID87196759
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
SMILESClc1ncccc1-c1csc(NC2=NCCCC2)n1
InChIInChI=1S/C13H13ClN4S/c14-12-9(4-3-7-16-12)10-8-19-13(17-10)18-11-5-1-2-6-15-11/h3-4,7-8H,1-2,5-6H2,(H,15,17,18)
InChIKeyVKUXQCUDKAOXDK-UHFFFAOYSA-N
XLogP3.85
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide
CID 171109534
4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 123668544
4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 123536502
4-(3-methoxyphenyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 123700525
4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
CID 34883745
4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104641
4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104213
4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104564
2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]phenol
CID 145104911
4-[2-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]oxy-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104184
4-(2-fluorophenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264886
4-(2-chloro-4-pyridinyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104006

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine (CID 87196759) is 4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine is Clc1ncccc1-c1csc(NC2=NCCCC2)n1.
What is the InChIKey of 4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is VKUXQCUDKAOXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c14-12-9(4-3-7-16-12)10-8-19-13(17-10)18-11-5-1-2-6-15-11/h3-4,7-8H,1-2,5-6H2,(H,15,17,18).
What are the key properties of 4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 292.80 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87196759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).