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

C12H16N4S3 — CID 103384525

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NC2CCSCC2)cs1
InChIInChI=1S/C12H16N4S3/c1-7-14-9(6-18-7)10-11(13)16-19-12(10)15-8-2-4-17-5-3-8/h6,8,15H,2-5H2,1H3,(H2,13,16)
InChIKeyVQUYLMZDNXOGKK-UHFFFAOYSA-N
MW312.49 g/mol
LogP3.46
Rot. Bonds3

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

4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103384525) has the molecular formula C12H16N4S3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
PubChem CID103384525
Molecular FormulaC12H16N4S3
Molecular Weight312.49 g/mol
Exact Mass312.05
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NC2CCSCC2)cs1
InChIInChI=1S/C12H16N4S3/c1-7-14-9(6-18-7)10-11(13)16-19-12(10)15-8-2-4-17-5-3-8/h6,8,15H,2-5H2,1H3,(H2,13,16)
InChIKeyVQUYLMZDNXOGKK-UHFFFAOYSA-N
XLogP3.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103383687
5-N-(cyclopentylmethyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382835
5-N-(2-methoxycyclopentyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379868
4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103365642
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384935
5-N-(4-methoxybutan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378757
5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378654
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382912
5-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]pentan-2-ol
CID 106138945
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
CID 106174670
4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505421

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine (CID 103384525) is 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine is Cc1nc(-c2c(N)nsc2NC2CCSCC2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is VQUYLMZDNXOGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S3/c1-7-14-9(6-18-7)10-11(13)16-19-12(10)15-8-2-4-17-5-3-8/h6,8,15H,2-5H2,1H3,(H2,13,16).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine?
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 312.49 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103384525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).