[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine

C10H14N4S — CID 61280679

IUPAC[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine
SMILESCc1nn(C)c(C)c1-c1nc(CN)cs1
InChIInChI=1S/C10H14N4S/c1-6-9(7(2)14(3)13-6)10-12-8(4-11)5-15-10/h5H,4,11H2,1-3H3
InChIKeyYKMDTBABLFUEDX-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.62
Rot. Bonds2

About [2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine

[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 61280679) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is [2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID61280679
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine
SMILESCc1nn(C)c(C)c1-c1nc(CN)cs1
InChIInChI=1S/C10H14N4S/c1-6-9(7(2)14(3)13-6)10-12-8(4-11)5-15-10/h5H,4,11H2,1-3H3
InChIKeyYKMDTBABLFUEDX-UHFFFAOYSA-N
XLogP1.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45827587
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 50974363
1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084055
2-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-tert-butyl-1,3-thiazole
CID 2820323
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051
3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 71938465
2-[3,5-Dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 75522116
1-(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 77091409
N-methyl-1-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 77096062
2-Cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole
CID 91643237
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 91839440

Frequently Asked Questions

What is the IUPAC name of [2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine (CID 61280679) is [2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine is Cc1nn(C)c(C)c1-c1nc(CN)cs1.
What is the InChIKey of [2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is YKMDTBABLFUEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-6-9(7(2)14(3)13-6)10-12-8(4-11)5-15-10/h5H,4,11H2,1-3H3.
What are the key properties of [2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine?
[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 222.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 61280679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).