1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

C14H22N4S — CID 43751843

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2cnn(C)c2C)c(C)s1
InChIInChI=1S/C14H22N4S/c1-8(13-7-15-18(6)10(13)3)16-9(2)14-11(4)19-12(5)17-14/h7-9,16H,1-6H3
InChIKeyOLTAVZGKYCIJKO-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.21
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 43751843) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID43751843
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2cnn(C)c2C)c(C)s1
InChIInChI=1S/C14H22N4S/c1-8(13-7-15-18(6)10(13)3)16-9(2)14-11(4)19-12(5)17-14/h7-9,16H,1-6H3
InChIKeyOLTAVZGKYCIJKO-UHFFFAOYSA-N
XLogP3.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 43751843) is 1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)NC(C)c2cnn(C)c2C)c(C)s1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is OLTAVZGKYCIJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-8(13-7-15-18(6)10(13)3)16-9(2)14-11(4)19-12(5)17-14/h7-9,16H,1-6H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 278.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 43751843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).