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

C9H12N4S — CID 103134636

IUPAC(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1C(N)c1ccn(C)n1
InChIInChI=1S/C9H12N4S/c1-6-9(14-5-11-6)8(10)7-3-4-13(2)12-7/h3-5,8H,10H2,1-2H3
InChIKeyJMYIJZSEXIFEJZ-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.23
Rot. Bonds2

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

(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 103134636) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID103134636
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1C(N)c1ccn(C)n1
InChIInChI=1S/C9H12N4S/c1-6-9(14-5-11-6)8(10)7-3-4-13(2)12-7/h3-5,8H,10H2,1-2H3
InChIKeyJMYIJZSEXIFEJZ-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)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130674397
(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
CID 10130445
(3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103134660
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933
N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 80528686
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135151
1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
CID 130453998
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106464896
(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 65200249
(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105090551
(5-methylfuran-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103134923

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 103134636) is (1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine is Cc1ncsc1C(N)c1ccn(C)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is JMYIJZSEXIFEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-9(14-5-11-6)8(10)7-3-4-13(2)12-7/h3-5,8H,10H2,1-2H3.
What are the key properties of (1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
(1-methylpyrazol-3-yl)-(4-methyl-1,3-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)-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 103134636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).