4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine

C9H13N5S — CID 103364929

IUPAC4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCc1ccn(C)n1
InChIInChI=1S/C9H13N5S/c1-6-8(10)13-15-9(6)11-5-7-3-4-14(2)12-7/h3-4,11H,5H2,1-2H3,(H2,10,13)
InChIKeyWLIJOWSKINXJAP-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.38
Rot. Bonds3

About 4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine

4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103364929) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103364929
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCc1ccn(C)n1
InChIInChI=1S/C9H13N5S/c1-6-8(10)13-15-9(6)11-5-7-3-4-14(2)12-7/h3-4,11H,5H2,1-2H3,(H2,10,13)
InChIKeyWLIJOWSKINXJAP-UHFFFAOYSA-N
XLogP1.38
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383830
5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103383828
4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363729
5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103363458
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359501
5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 106107000
1-ethyl-3-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19571839
2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126965380
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
4-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103361077
5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82875067

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103364929) is 4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCc1ccn(C)n1.
What is the InChIKey of 4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is WLIJOWSKINXJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6-8(10)13-15-9(6)11-5-7-3-4-14(2)12-7/h3-4,11H,5H2,1-2H3,(H2,10,13).
What are the key properties of 4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 223.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).