(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine

C15H24N4S — CID 164639692

IUPAC(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCc1cc(C)n(C[C@H](C)N(C)CCc2scnc2C)n1
InChIInChI=1S/C15H24N4S/c1-11-8-12(2)19(17-11)9-13(3)18(5)7-6-15-14(4)16-10-20-15/h8,10,13H,6-7,9H2,1-5H3/t13-/m0/s1
InChIKeyYDHFWALSZPWODC-ZDUSSCGKSA-N
MW292.45 g/mol
LogP2.83
Rot. Bonds6

About (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine

(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (PubChem CID 164639692) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
PubChem CID164639692
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCc1cc(C)n(C[C@H](C)N(C)CCc2scnc2C)n1
InChIInChI=1S/C15H24N4S/c1-11-8-12(2)19(17-11)9-13(3)18(5)7-6-15-14(4)16-10-20-15/h8,10,13H,6-7,9H2,1-5H3/t13-/m0/s1
InChIKeyYDHFWALSZPWODC-ZDUSSCGKSA-N
XLogP2.83
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (CID 164639692) is (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is Cc1cc(C)n(C[C@H](C)N(C)CCc2scnc2C)n1.
What is the InChIKey of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is YDHFWALSZPWODC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4S/c1-11-8-12(2)19(17-11)9-13(3)18(5)7-6-15-14(4)16-10-20-15/h8,10,13H,6-7,9H2,1-5H3/t13-/m0/s1.
What are the key properties of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 292.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 164639692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).