N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide

C24H29ClN4O3S2 — CID 145359578

IUPACN-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide
SMILESCOc1ncc(-c2sc(NC(C)(C)C3CCOCC3)nc2C)cc1S(=O)Nc1ccccc1Cl
InChIInChI=1S/C24H29ClN4O3S2/c1-15-21(33-23(27-15)28-24(2,3)17-9-11-32-12-10-17)16-13-20(22(31-4)26-14-16)34(30)29-19-8-6-5-7-18(19)25/h5-8,13-14,17,29H,9-12H2,1-4H3,(H,27,28)
InChIKeyVXCNJEZFCPFTPZ-UHFFFAOYSA-N
MW521.11 g/mol
LogP5.93
Rot. Bonds8

About N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide

N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide (PubChem CID 145359578) has the molecular formula C24H29ClN4O3S2 and a molecular weight of 521.11 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide
PubChem CID145359578
Molecular FormulaC24H29ClN4O3S2
Molecular Weight521.11 g/mol
Exact Mass520.14
IUPAC NameN-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide
SMILESCOc1ncc(-c2sc(NC(C)(C)C3CCOCC3)nc2C)cc1S(=O)Nc1ccccc1Cl
InChIInChI=1S/C24H29ClN4O3S2/c1-15-21(33-23(27-15)28-24(2,3)17-9-11-32-12-10-17)16-13-20(22(31-4)26-14-16)34(30)29-19-8-6-5-7-18(19)25/h5-8,13-14,17,29H,9-12H2,1-4H3,(H,27,28)
InChIKeyVXCNJEZFCPFTPZ-UHFFFAOYSA-N
XLogP5.93
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.11
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 121467260
CID 121467260
CID 89493775
CID 89493775
CID 123713601
CID 123713601
CID 130383707
CID 130383707
CID 130383708
CID 130383708
CID 130383714
CID 130383714
CID 130383718
CID 130383718
CID 130383719
CID 130383719
CID 130383840
CID 130383840
CID 130383846
CID 130383846
CID 130383847
CID 130383847
CID 130383851
CID 130383851

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide?
The IUPAC name of N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide (CID 145359578) is N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide is COc1ncc(-c2sc(NC(C)(C)C3CCOCC3)nc2C)cc1S(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide?
The InChIKey is VXCNJEZFCPFTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3S2/c1-15-21(33-23(27-15)28-24(2,3)17-9-11-32-12-10-17)16-13-20(22(31-4)26-14-16)34(30)29-19-8-6-5-7-18(19)25/h5-8,13-14,17,29H,9-12H2,1-4H3,(H,27,28).
What are the key properties of N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide?
N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide has a molecular weight of 521.11 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]pyridine-3-sulfinamide is sourced from PubChem (CID 145359578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).