(1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

C12H18N4S — CID 103570173

IUPAC(1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCCn1cc(C(N)c2nc(C(C)C)cs2)cn1
InChIInChI=1S/C12H18N4S/c1-4-16-6-9(5-14-16)11(13)12-15-10(7-17-12)8(2)3/h5-8,11H,4,13H2,1-3H3
InChIKeyBDQMEZAALROYGA-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.53
Rot. Bonds4

About (1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

(1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 103570173) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID103570173
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name(1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCCn1cc(C(N)c2nc(C(C)C)cs2)cn1
InChIInChI=1S/C12H18N4S/c1-4-16-6-9(5-14-16)11(13)12-15-10(7-17-12)8(2)3/h5-8,11H,4,13H2,1-3H3
InChIKeyBDQMEZAALROYGA-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 66134524
(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 55146785
(4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine
CID 66131032
(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61347398
4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline
CID 61330087
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole
CID 91077854
N-[(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103570199
(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 105402306
(3-cyclopropylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 66142262
(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816373
(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 61330086

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 103570173) is (1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is CCn1cc(C(N)c2nc(C(C)C)cs2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is BDQMEZAALROYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-16-6-9(5-14-16)11(13)12-15-10(7-17-12)8(2)3/h5-8,11H,4,13H2,1-3H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
(1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 250.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 103570173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).