2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid

C15H10Cl2N4O2S2 — CID 72734878

IUPAC2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C15H10Cl2N4O2S2/c16-9-3-1-8(2-4-9)10-6-24-14(18-10)20-12-5-11(17)19-15(21-12)25-7-13(22)23/h1-6H,7H2,(H,22,23)(H,18,19,20,21)
InChIKeyICVVXTDMPDJJEV-UHFFFAOYSA-N
MW413.31 g/mol
LogP4.83
Rot. Bonds6

About 2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid

2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid (PubChem CID 72734878) has the molecular formula C15H10Cl2N4O2S2 and a molecular weight of 413.31 g/mol. Its IUPAC name is 2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid
PubChem CID72734878
Molecular FormulaC15H10Cl2N4O2S2
Molecular Weight413.31 g/mol
Exact Mass411.96
IUPAC Name2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C15H10Cl2N4O2S2/c16-9-3-1-8(2-4-9)10-6-24-14(18-10)20-12-5-11(17)19-15(21-12)25-7-13(22)23/h1-6H,7H2,(H,22,23)(H,18,19,20,21)
InChIKeyICVVXTDMPDJJEV-UHFFFAOYSA-N
XLogP4.83
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid
CID 82134209
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080343
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
4-[3-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18895417
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304999
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid (CID 72734878) is 2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid is O=C(O)CSc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1.
What is the InChIKey of 2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid?
The InChIKey is ICVVXTDMPDJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2S2/c16-9-3-1-8(2-4-9)10-6-24-14(18-10)20-12-5-11(17)19-15(21-12)25-7-13(22)23/h1-6H,7H2,(H,22,23)(H,18,19,20,21).
What are the key properties of 2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid?
2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid has a molecular weight of 413.31 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 72734878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).