2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C12H18N4S — CID 65197994

IUPAC2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCn1ccc(-c2ncc(CNC(C)(C)C)s2)n1
InChIInChI=1S/C12H18N4S/c1-12(2,3)14-8-9-7-13-11(17-9)10-5-6-16(4)15-10/h5-7,14H,8H2,1-4H3
InChIKeyNRHXTKGGFAPGJU-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.43
Rot. Bonds3

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

2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 65197994) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID65197994
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCn1ccc(-c2ncc(CNC(C)(C)C)s2)n1
InChIInChI=1S/C12H18N4S/c1-12(2,3)14-8-9-7-13-11(17-9)10-5-6-16(4)15-10/h5-7,14H,8H2,1-4H3
InChIKeyNRHXTKGGFAPGJU-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 126719888
2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65197995
N-ethyl-1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 65197718
2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carbaldehyde
CID 65197767
N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106793138
N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107915402
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
CID 65198189
2-methyl-N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62551604
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 61037566
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 62404630
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753296
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65138358

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 65197994) is 2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cn1ccc(-c2ncc(CNC(C)(C)C)s2)n1.
What is the InChIKey of 2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is NRHXTKGGFAPGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-12(2,3)14-8-9-7-13-11(17-9)10-5-6-16(4)15-10/h5-7,14H,8H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 65197994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).