1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine

C12H18N4S — CID 43768913

IUPAC1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
SMILESCc1ncsc1C(C)Nc1c(C)nn(C)c1C
InChIInChI=1S/C12H18N4S/c1-7-11(10(4)16(5)15-7)14-9(3)12-8(2)13-6-17-12/h6,9,14H,1-5H3
InChIKeyLRECDJYUSOHAIO-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.97
Rot. Bonds3

About 1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine

1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine (PubChem CID 43768913) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
PubChem CID43768913
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
SMILESCc1ncsc1C(C)Nc1c(C)nn(C)c1C
InChIInChI=1S/C12H18N4S/c1-7-11(10(4)16(5)15-7)14-9(3)12-8(2)13-6-17-12/h6,9,14H,1-5H3
InChIKeyLRECDJYUSOHAIO-UHFFFAOYSA-N
XLogP2.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine (CID 43768913) is 1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine is Cc1ncsc1C(C)Nc1c(C)nn(C)c1C.
What is the InChIKey of 1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
The InChIKey is LRECDJYUSOHAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-7-11(10(4)16(5)15-7)14-9(3)12-8(2)13-6-17-12/h6,9,14H,1-5H3.
What are the key properties of 1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine?
1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine has a molecular weight of 250.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 43768913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).