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

C7H8N4S2 — CID 103382767

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2N)cs1
InChIInChI=1S/C7H8N4S2/c1-3-10-4(2-12-3)5-6(8)11-13-7(5)9/h2H,9H2,1H3,(H2,8,11)
InChIKeyZZSFMJZVFSHXQJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.74
Rot. Bonds1

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

4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103382767) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
PubChem CID103382767
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2N)cs1
InChIInChI=1S/C7H8N4S2/c1-3-10-4(2-12-3)5-6(8)11-13-7(5)9/h2H,9H2,1H3,(H2,8,11)
InChIKeyZZSFMJZVFSHXQJ-UHFFFAOYSA-N
XLogP1.74
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384935
4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine
CID 103381183
4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505421
5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103381435
5-N-(4-methoxybutan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378757
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382912
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103384525
5-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]pentan-2-ol
CID 106138945
4-(2-methyl-1,3-thiazol-4-yl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103378152
5-N-(cyclopentylmethyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382835
5-N-[2-(3-methylbutoxy)ethyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379335
5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378654

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine (CID 103382767) is 4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine is Cc1nc(-c2c(N)nsc2N)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is ZZSFMJZVFSHXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c1-3-10-4(2-12-3)5-6(8)11-13-7(5)9/h2H,9H2,1H3,(H2,8,11).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 212.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103382767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).