[1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine

C14H23N5S — CID 138552639

IUPAC[1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine
SMILESCc1cc(CN)nn1CCC(C)(C)c1csc(CN)n1
InChIInChI=1S/C14H23N5S/c1-10-6-11(7-15)18-19(10)5-4-14(2,3)12-9-20-13(8-16)17-12/h6,9H,4-5,7-8,15-16H2,1-3H3
InChIKeyCPRCRDBULHDHSU-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.93
Rot. Bonds6

About [1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine

[1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine (PubChem CID 138552639) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is [1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine
PubChem CID138552639
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name[1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine
SMILESCc1cc(CN)nn1CCC(C)(C)c1csc(CN)n1
InChIInChI=1S/C14H23N5S/c1-10-6-11(7-15)18-19(10)5-4-14(2,3)12-9-20-13(8-16)17-12/h6,9H,4-5,7-8,15-16H2,1-3H3
InChIKeyCPRCRDBULHDHSU-UHFFFAOYSA-N
XLogP1.93
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine?
The IUPAC name of [1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine (CID 138552639) is [1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine is Cc1cc(CN)nn1CCC(C)(C)c1csc(CN)n1.
What is the InChIKey of [1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine?
The InChIKey is CPRCRDBULHDHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-10-6-11(7-15)18-19(10)5-4-14(2,3)12-9-20-13(8-16)17-12/h6,9H,4-5,7-8,15-16H2,1-3H3.
What are the key properties of [1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine?
[1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine has a molecular weight of 293.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylbutyl]-5-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 138552639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).