(1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine

C9H12N4S — CID 130527433

IUPAC(1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
SMILESCc1cnn(C)c1C(N)c1cscn1
InChIInChI=1S/C9H12N4S/c1-6-3-12-13(2)9(6)8(10)7-4-14-5-11-7/h3-5,8H,10H2,1-2H3
InChIKeySDLWKPJLSPOANF-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.23
Rot. Bonds2

About (1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine

(1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine (PubChem CID 130527433) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is (1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
PubChem CID130527433
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name(1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
SMILESCc1cnn(C)c1C(N)c1cscn1
InChIInChI=1S/C9H12N4S/c1-6-3-12-13(2)9(6)8(10)7-4-14-5-11-7/h3-5,8H,10H2,1-2H3
InChIKeySDLWKPJLSPOANF-UHFFFAOYSA-N
XLogP1.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine
CID 114688732
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
CID 114658703
(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637321
(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637320
(5-amino-1-methylpyrazol-4-yl)-(1,3-thiazol-4-yl)methanol
CID 130670447
(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine
CID 130979013
2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
CID 83815268
(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
CID 82416070
(3R)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propan-1-ol
CID 96739130
(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide
CID 131209567
2-cyclopropyl-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 130527432
(4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine
CID 78923574

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of (1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine (CID 130527433) is (1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine is Cc1cnn(C)c1C(N)c1cscn1.
What is the InChIKey of (1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine?
The InChIKey is SDLWKPJLSPOANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-3-12-13(2)9(6)8(10)7-4-14-5-11-7/h3-5,8H,10H2,1-2H3.
What are the key properties of (1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine?
(1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 130527433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).