N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine

C12H18N4S — CID 43547142

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1nc(C(C)Nc2c(C)n[nH]c2C)c(C)s1
InChIInChI=1S/C12H18N4S/c1-6(12-9(4)17-10(5)14-12)13-11-7(2)15-16-8(11)3/h6,13H,1-5H3,(H,15,16)
InChIKeyJPKWPZFQHKPCMJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.27
Rot. Bonds3

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547142) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547142
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1nc(C(C)Nc2c(C)n[nH]c2C)c(C)s1
InChIInChI=1S/C12H18N4S/c1-6(12-9(4)17-10(5)14-12)13-11-7(2)15-16-8(11)3/h6,13H,1-5H3,(H,15,16)
InChIKeyJPKWPZFQHKPCMJ-UHFFFAOYSA-N
XLogP3.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547142) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is Cc1nc(C(C)Nc2c(C)n[nH]c2C)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is JPKWPZFQHKPCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-6(12-9(4)17-10(5)14-12)13-11-7(2)15-16-8(11)3/h6,13H,1-5H3,(H,15,16).
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 250.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).