N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine

C15H17N5S — CID 71918479

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine
SMILESCc1csc(CNc2ccn(CCc3ccncc3)n2)n1
InChIInChI=1S/C15H17N5S/c1-12-11-21-15(18-12)10-17-14-5-9-20(19-14)8-4-13-2-6-16-7-3-13/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,17,19)
InChIKeyDGXAOZTULZFOAD-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.90
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine (PubChem CID 71918479) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine
PubChem CID71918479
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine
SMILESCc1csc(CNc2ccn(CCc3ccncc3)n2)n1
InChIInChI=1S/C15H17N5S/c1-12-11-21-15(18-12)10-17-14-5-9-20(19-14)8-4-13-2-6-16-7-3-13/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,17,19)
InChIKeyDGXAOZTULZFOAD-UHFFFAOYSA-N
XLogP2.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
CID 71969697
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 60733823
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
CID 130686343
ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 138989642
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 115750507
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline
CID 104769646
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 114475451
4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 115777095
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine (CID 71918479) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine is Cc1csc(CNc2ccn(CCc3ccncc3)n2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine?
The InChIKey is DGXAOZTULZFOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-12-11-21-15(18-12)10-17-14-5-9-20(19-14)8-4-13-2-6-16-7-3-13/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,17,19).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine has a molecular weight of 299.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine is sourced from PubChem (CID 71918479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).