N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

C33H28ClN5O3S — CID 11650190

About N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide

N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (PubChem CID 11650190) has the molecular formula C33H28ClN5O3S and a molecular weight of 610.14 g/mol. Its IUPAC name is N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
• PubChem CID: 11650190
• Molecular Formula: C33H28ClN5O3S
• Molecular Weight: 610.14 g/mol
• Exact Mass: 609.16
• IUPAC Name: N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide
• SMILES: COc1ccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5(C)c6ccccc6C4n4ccnc45)n3)c2)cc1Cl
• InChI: InChI=1S/C33H28ClN5O3S/c1-32-18-33(2,27(39-14-13-35-29(32)39)22-9-4-5-10-23(22)32)30(41)38-31-37-25(17-43-31)19-7-6-8-20(15-19)28(40)36-21-11-12-26(42-3)24(34)16-21/h4-17,27H,18H2,1-3H3,(H,36,40)(H,37,38,41)
• InChIKey: XDEBLRWOBJLHLR-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.14
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

The IUPAC name of N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide (CID 11650190) is N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide.

What is the SMILES notation for N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

The canonical SMILES for N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide is COc1ccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5(C)c6ccccc6C4n4ccnc45)n3)c2)cc1Cl.

What is the InChIKey of N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

The InChIKey is XDEBLRWOBJLHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClN5O3S/c1-32-18-33(2,27(39-14-13-35-29(32)39)22-9-4-5-10-23(22)32)30(41)38-31-37-25(17-43-31)19-7-6-8-20(15-19)28(40)36-21-11-12-26(42-3)24(34)16-21/h4-17,27H,18H2,1-3H3,(H,36,40)(H,37,38,41).

What are the key properties of N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide?

N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide has a molecular weight of 610.14 g/mol, XLogP of 7.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,15-dimethyl-9,12-diazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,10,12-pentaene-15-carboxamide is sourced from PubChem (CID 11650190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).