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

C14H13ClN4S2 — CID 103349513

IUPAC5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NCc2ccccc2Cl)n1
InChIInChI=1S/C14H13ClN4S2/c1-8-7-20-14(18-8)11-12(16)19-21-13(11)17-6-9-4-2-3-5-10(9)15/h2-5,7,17H,6H2,1H3,(H2,16,19)
InChIKeyKFKRHKXQRZDEND-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.42
Rot. Bonds4

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

5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103349513) has the molecular formula C14H13ClN4S2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103349513
Molecular FormulaC14H13ClN4S2
Molecular Weight336.87 g/mol
Exact Mass336.03
IUPAC Name5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NCc2ccccc2Cl)n1
InChIInChI=1S/C14H13ClN4S2/c1-8-7-20-14(18-8)11-12(16)19-21-13(11)17-6-9-4-2-3-5-10(9)15/h2-5,7,17H,6H2,1H3,(H2,16,19)
InChIKeyKFKRHKXQRZDEND-UHFFFAOYSA-N
XLogP4.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
CID 103349556
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349519
5-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]pentan-1-ol
CID 107324532
5-N-(1H-imidazol-5-ylmethyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103348958
1-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-2-ol
CID 103349589
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2-prop-2-ynylsulfanylethyl)-1,2-thiazole-3,5-diamine
CID 106434248
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1-phenylethyl)-1,2-thiazole-3,5-diamine
CID 103349504
5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 106107000
5-N-hexan-3-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349107
5-N-[(4-methylmorpholin-2-yl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103348830
5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349113
5-N-(1-cyclopropylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349327

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (CID 103349513) is 5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is Cc1csc(-c2c(N)nsc2NCc2ccccc2Cl)n1.
What is the InChIKey of 5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is KFKRHKXQRZDEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S2/c1-8-7-20-14(18-8)11-12(16)19-21-13(11)17-6-9-4-2-3-5-10(9)15/h2-5,7,17H,6H2,1H3,(H2,16,19).
What are the key properties of 5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 336.87 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).