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

C10H12ClN3S3 — CID 103360767

IUPAC5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C10H12ClN3S3/c1-14(5-6-3-4-7(11)16-6)10-8(15-2)9(12)13-17-10/h3-4H,5H2,1-2H3,(H2,12,13)
InChIKeyAKDWTPGFXBFDGI-UHFFFAOYSA-N
MW305.88 g/mol
LogP3.80
Rot. Bonds4

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

5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103360767) has the molecular formula C10H12ClN3S3 and a molecular weight of 305.88 g/mol. Its IUPAC name is 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103360767
Molecular FormulaC10H12ClN3S3
Molecular Weight305.88 g/mol
Exact Mass304.99
IUPAC Name5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C10H12ClN3S3/c1-14(5-6-3-4-7(11)16-6)10-8(15-2)9(12)13-17-10/h3-4H,5H2,1-2H3,(H2,12,13)
InChIKeyAKDWTPGFXBFDGI-UHFFFAOYSA-N
XLogP3.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.88
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103360768
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103360771
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
CID 104533337
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol
CID 103365140
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 61438708
4-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987922
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66029760
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80799071
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 63586888
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine
CID 79080525

Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103360767) is 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is AKDWTPGFXBFDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S3/c1-14(5-6-3-4-7(11)16-6)10-8(15-2)9(12)13-17-10/h3-4H,5H2,1-2H3,(H2,12,13).
What are the key properties of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 305.88 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).