N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine

C11H16N4S — CID 84592705

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1csc(CNc2cnn(C(C)C)c2)n1
InChIInChI=1S/C11H16N4S/c1-8(2)15-6-10(4-13-15)12-5-11-14-9(3)7-16-11/h4,6-8,12H,5H2,1-3H3
InChIKeyLKABGDSAGJXEGF-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.84
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 84592705) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID84592705
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1csc(CNc2cnn(C(C)C)c2)n1
InChIInChI=1S/C11H16N4S/c1-8(2)15-6-10(4-13-15)12-5-11-14-9(3)7-16-11/h4,6-8,12H,5H2,1-3H3
InChIKeyLKABGDSAGJXEGF-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45803839
1-[2-(4-Methyl-1,3-thiazol-2-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828496
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084067
n-((2-Ethylthiazol-4-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 53522670
N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53559006
1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 53596188
2-(4-methylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53614923
2-Propyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56781078
N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 56781265
1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
CID 75393046
1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 75434824
1-(2-methylpropyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 75434831

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine (CID 84592705) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine is Cc1csc(CNc2cnn(C(C)C)c2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is LKABGDSAGJXEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8(2)15-6-10(4-13-15)12-5-11-14-9(3)7-16-11/h4,6-8,12H,5H2,1-3H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 236.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 84592705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).