5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

C11H8ClN5S — CID 42645494

IUPAC5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESClc1sc(Nc2ccccn2)nc1-c1cn[nH]c1
InChIInChI=1S/C11H8ClN5S/c12-10-9(7-5-14-15-6-7)17-11(18-10)16-8-3-1-2-4-13-8/h1-6H,(H,14,15)(H,13,16,17)
InChIKeyRSKGOYUPIQTNDN-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.33
Rot. Bonds3

About 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 42645494) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID42645494
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC Name5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESClc1sc(Nc2ccccn2)nc1-c1cn[nH]c1
InChIInChI=1S/C11H8ClN5S/c12-10-9(7-5-14-15-6-7)17-11(18-10)16-8-3-1-2-4-13-8/h1-6H,(H,14,15)(H,13,16,17)
InChIKeyRSKGOYUPIQTNDN-UHFFFAOYSA-N
XLogP3.33
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Adx88178
CID 46836872
N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
mGluR4-PAM-1
CID 46836562
5-methyl-4-(1H-pyrazol-4-yl)-N-(pyridin-2-yl)thiazol-2-amine
CID 25138329
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
N-(pyridin-2-yl)-5,6-dihydro-4H-thiazolo[4,5-e]indazol-2-amine
CID 46700737
N-(6-methylpyridin-2-yl)-5,6-dihydro-4H-thiazolo[4,5-e]indazol-2-amine
CID 46836497
N-(6-methyl-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 46836565
N-(5-fluoro-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 46836566
N-(6-fluoro-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 46836709
N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 53387723
N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 53387724

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 42645494) is 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is Clc1sc(Nc2ccccn2)nc1-c1cn[nH]c1.
What is the InChIKey of 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is RSKGOYUPIQTNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S/c12-10-9(7-5-14-15-6-7)17-11(18-10)16-8-3-1-2-4-13-8/h1-6H,(H,14,15)(H,13,16,17).
What are the key properties of 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 277.74 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 42645494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).