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

C9H12N4S2 — CID 103359286

IUPAC4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1csc(CNc2snc(N)c2C)n1
InChIInChI=1S/C9H12N4S2/c1-5-4-14-7(12-5)3-11-9-6(2)8(10)13-15-9/h4,11H,3H2,1-2H3,(H2,10,13)
InChIKeyGKBNZWHWMGZFMQ-UHFFFAOYSA-N
MW240.36 g/mol
LogP2.41
Rot. Bonds3

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

4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359286) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is 4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359286
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC Name4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1csc(CNc2snc(N)c2C)n1
InChIInChI=1S/C9H12N4S2/c1-5-4-14-7(12-5)3-11-9-6(2)8(10)13-15-9/h4,11H,3H2,1-2H3,(H2,10,13)
InChIKeyGKBNZWHWMGZFMQ-UHFFFAOYSA-N
XLogP2.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363729
4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103361186
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
4-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103361077
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359201
2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 60706687
5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359711
6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80896903
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 114448176
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365158
4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364929

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103359286) is 4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine is Cc1csc(CNc2snc(N)c2C)n1.
What is the InChIKey of 4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is GKBNZWHWMGZFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-5-4-14-7(12-5)3-11-9-6(2)8(10)13-15-9/h4,11H,3H2,1-2H3,(H2,10,13).
What are the key properties of 4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine?
4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 240.36 g/mol, XLogP of 2.41, 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-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).