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

C9H12N4S — CID 130674397

IUPAC(1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
SMILESCc1cc(C(N)c2ccn(C)n2)sn1
InChIInChI=1S/C9H12N4S/c1-6-5-8(14-12-6)9(10)7-3-4-13(2)11-7/h3-5,9H,10H2,1-2H3
InChIKeyZEYOUJYCPYOELL-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.23
Rot. Bonds2

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

(1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine (PubChem CID 130674397) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
PubChem CID130674397
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name(1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
SMILESCc1cc(C(N)c2ccn(C)n2)sn1
InChIInChI=1S/C9H12N4S/c1-6-5-8(14-12-6)9(10)7-3-4-13(2)11-7/h3-5,9H,10H2,1-2H3
InChIKeyZEYOUJYCPYOELL-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

(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 103134636
(3-methyl-1,2-thiazol-5-yl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 126985760
(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 103134428
1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
CID 130453998
(5-methylfuran-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103134923
(3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine
CID 127002585
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135081
(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107977932
(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135151
(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103135283
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine?
The IUPAC name of (1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine (CID 130674397) is (1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine?
The canonical SMILES for (1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine is Cc1cc(C(N)c2ccn(C)n2)sn1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine?
The InChIKey is ZEYOUJYCPYOELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-5-8(14-12-6)9(10)7-3-4-13(2)11-7/h3-5,9H,10H2,1-2H3.
What are the key properties of (1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine?
(1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-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-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 130674397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).