N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine

C12H18N4S — CID 75505608

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine
SMILESCCn1nc(C)c(CNc2ncc(C)s2)c1C
InChIInChI=1S/C12H18N4S/c1-5-16-10(4)11(9(3)15-16)7-14-12-13-6-8(2)17-12/h6H,5,7H2,1-4H3,(H,13,14)
InChIKeySKLMWKHIRMNUOA-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.90
Rot. Bonds4

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 75505608) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID75505608
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine
SMILESCCn1nc(C)c(CNc2ncc(C)s2)c1C
InChIInChI=1S/C12H18N4S/c1-5-16-10(4)11(9(3)15-16)7-14-12-13-6-8(2)17-12/h6H,5,7H2,1-4H3,(H,13,14)
InChIKeySKLMWKHIRMNUOA-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine (CID 75505608) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine is CCn1nc(C)c(CNc2ncc(C)s2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is SKLMWKHIRMNUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-5-16-10(4)11(9(3)15-16)7-14-12-13-6-8(2)17-12/h6H,5,7H2,1-4H3,(H,13,14).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 75505608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).