(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

C11H16N4S — CID 61333083

IUPAC(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCCc1nc(C(N)c2cnn(C)c2)sc1C
InChIInChI=1S/C11H16N4S/c1-4-9-7(2)16-11(14-9)10(12)8-5-13-15(3)6-8/h5-6,10H,4,12H2,1-3H3
InChIKeyOKVODFGVXJWVSA-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.80
Rot. Bonds3

About (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 61333083) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID61333083
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCCc1nc(C(N)c2cnn(C)c2)sc1C
InChIInChI=1S/C11H16N4S/c1-4-9-7(2)16-11(14-9)10(12)8-5-13-15(3)6-8/h5-6,10H,4,12H2,1-3H3
InChIKeyOKVODFGVXJWVSA-UHFFFAOYSA-N
XLogP1.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 61330942
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 55039474
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 61331308
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine
CID 103572514
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine
CID 61331303
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one
CID 116604871
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115809289
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 83092056

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (CID 61333083) is (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is CCc1nc(C(N)c2cnn(C)c2)sc1C.
What is the InChIKey of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is OKVODFGVXJWVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-9-7(2)16-11(14-9)10(12)8-5-13-15(3)6-8/h5-6,10H,4,12H2,1-3H3.
What are the key properties of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 236.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 61333083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).