3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine

C13H20N4S — CID 114270882

IUPAC3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine
SMILESCc1cnc(CNC(Cn2cccn2)C(C)C)s1
InChIInChI=1S/C13H20N4S/c1-10(2)12(9-17-6-4-5-16-17)14-8-13-15-7-11(3)18-13/h4-7,10,12,14H,8-9H2,1-3H3
InChIKeyHPCRJQBNUBPVFB-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.46
Rot. Bonds6

About 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine

3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine (PubChem CID 114270882) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine
PubChem CID114270882
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine
SMILESCc1cnc(CNC(Cn2cccn2)C(C)C)s1
InChIInChI=1S/C13H20N4S/c1-10(2)12(9-17-6-4-5-16-17)14-8-13-15-7-11(3)18-13/h4-7,10,12,14H,8-9H2,1-3H3
InChIKeyHPCRJQBNUBPVFB-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111525214
1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111525371
N,N-diethyl-5-[[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine
CID 93294400
1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786249
(2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine
CID 100620691
N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine
CID 114270847
2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol
CID 114270884
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine
CID 103729859
1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786265
1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103786257
1-(2,3-difluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103915820
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine
CID 103729858

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine?
The IUPAC name of 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine (CID 114270882) is 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine is Cc1cnc(CNC(Cn2cccn2)C(C)C)s1.
What is the InChIKey of 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine?
The InChIKey is HPCRJQBNUBPVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-10(2)12(9-17-6-4-5-16-17)14-8-13-15-7-11(3)18-13/h4-7,10,12,14H,8-9H2,1-3H3.
What are the key properties of 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine?
3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 114270882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).