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

C14H13ClN4S2 — CID 103360771

IUPAC5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1ccc(Cl)s1)c1snc(N)c1-c1ccncc1
InChIInChI=1S/C14H13ClN4S2/c1-19(8-10-2-3-11(15)20-10)14-12(13(16)18-21-14)9-4-6-17-7-5-9/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyRVCPWJNHDBOQIL-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.14
Rot. Bonds4

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

5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (PubChem CID 103360771) has the molecular formula C14H13ClN4S2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
PubChem CID103360771
Molecular FormulaC14H13ClN4S2
Molecular Weight336.87 g/mol
Exact Mass336.03
IUPAC Name5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1ccc(Cl)s1)c1snc(N)c1-c1ccncc1
InChIInChI=1S/C14H13ClN4S2/c1-19(8-10-2-3-11(15)20-10)14-12(13(16)18-21-14)9-4-6-17-7-5-9/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyRVCPWJNHDBOQIL-UHFFFAOYSA-N
XLogP4.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360767
5-N-[(5-chlorothiophen-2-yl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103360768
5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361301
5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103361733
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
CID 104533337
5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360705
4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 107055274
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
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
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

Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (CID 103360771) is 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is CN(Cc1ccc(Cl)s1)c1snc(N)c1-c1ccncc1.
What is the InChIKey of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The InChIKey is RVCPWJNHDBOQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S2/c1-19(8-10-2-3-11(15)20-10)14-12(13(16)18-21-14)9-4-6-17-7-5-9/h2-7H,8H2,1H3,(H2,16,18).
What are the key properties of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-4-yl-1,2-thiazole-3,5-diamine has a molecular weight of 336.87 g/mol, XLogP of 4.14, 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-pyridin-4-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).