5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine

C17H16ClN3O2S2 — CID 123661730

IUPAC5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccccn2)sc1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O2S2/c1-12-16(25(22,23)11-13-6-2-3-8-15(13)18)24-17(21-12)20-10-14-7-4-5-9-19-14/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyORRHFHJKUAGHKD-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.09
Rot. Bonds6

About 5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine

5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 123661730) has the molecular formula C17H16ClN3O2S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID123661730
Molecular FormulaC17H16ClN3O2S2
Molecular Weight393.92 g/mol
Exact Mass393.04
IUPAC Name5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccccn2)sc1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O2S2/c1-12-16(25(22,23)11-13-6-2-3-8-15(13)18)24-17(21-12)20-10-14-7-4-5-9-19-14/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyORRHFHJKUAGHKD-UHFFFAOYSA-N
XLogP4.09
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 2988708
2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid
CID 82091194
N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 88889458
(2-chlorophenyl)methyl 4-methyl-2-(pyridine-2-carbonylamino)-1,3-thiazole-5-sulfonate
CID 174685813
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917858
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173
2-[(2-chlorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946233
2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one
CID 175663483
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066295
4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71738749

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine (CID 123661730) is 5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine is Cc1nc(NCc2ccccn2)sc1S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is ORRHFHJKUAGHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S2/c1-12-16(25(22,23)11-13-6-2-3-8-15(13)18)24-17(21-12)20-10-14-7-4-5-9-19-14/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of 5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine?
5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 393.92 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 123661730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).