4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine

C17H17ClN6S — CID 87220182

IUPAC4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1cc(C(C)Nc2nc(Cl)c(Cc3c[nH]c4ncccc34)s2)n[nH]1
InChIInChI=1S/C17H17ClN6S/c1-9-6-13(24-23-9)10(2)21-17-22-15(18)14(25-17)7-11-8-20-16-12(11)4-3-5-19-16/h3-6,8,10H,7H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyMGHHXTLLRZVIFZ-UHFFFAOYSA-N
MW372.89 g/mol
LogP4.47
Rot. Bonds5

About 4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine

4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 87220182) has the molecular formula C17H17ClN6S and a molecular weight of 372.89 g/mol. Its IUPAC name is 4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID87220182
Molecular FormulaC17H17ClN6S
Molecular Weight372.89 g/mol
Exact Mass372.09
IUPAC Name4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1cc(C(C)Nc2nc(Cl)c(Cc3c[nH]c4ncccc34)s2)n[nH]1
InChIInChI=1S/C17H17ClN6S/c1-9-6-13(24-23-9)10(2)21-17-22-15(18)14(25-17)7-11-8-20-16-12(11)4-3-5-19-16/h3-6,8,10H,7H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyMGHHXTLLRZVIFZ-UHFFFAOYSA-N
XLogP4.47
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-5-[[4-(4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136491490
N-[(2-chlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70682756
N-[(3-chlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70689057
N-[(4-chlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70693280
N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 91800755
6-[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 145977679
US8927738, 5,8-Dimethyl-2-[2-(2-thiazol-5-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258896
US8927738, 5,8-Dimethyl-2-[2-(2-thiazol-4-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 71059359
[7-Methyl-6-(2H-pyrazol-3-yl)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-(R)-pyrrolidin-3-yl-amine
CID 89596528
US11447505, Example E144
CID 165156373
US11447505, Example E143
CID 165156619
N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
CID 137387738

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine (CID 87220182) is 4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine is Cc1cc(C(C)Nc2nc(Cl)c(Cc3c[nH]c4ncccc34)s2)n[nH]1.
What is the InChIKey of 4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is MGHHXTLLRZVIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6S/c1-9-6-13(24-23-9)10(2)21-17-22-15(18)14(25-17)7-11-8-20-16-12(11)4-3-5-19-16/h3-6,8,10H,7H2,1-2H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 372.89 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87220182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).