N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide

C24H28N6OS2 — CID 155566138

IUPACN-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCc1cn(-c2ccc3nc(-c4c(NC(=O)CCNC(C)C)sc5c4CCNC5)sc3c2)cn1
InChIInChI=1S/C24H28N6OS2/c1-14(2)26-9-7-21(31)29-24-22(17-6-8-25-11-20(17)33-24)23-28-18-5-4-16(10-19(18)32-23)30-12-15(3)27-13-30/h4-5,10,12-14,25-26H,6-9,11H2,1-3H3,(H,29,31)
InChIKeyIGJQJDLMIWHBOB-UHFFFAOYSA-N
MW480.66 g/mol
LogP4.49
Rot. Bonds7

About N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide

N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide (PubChem CID 155566138) has the molecular formula C24H28N6OS2 and a molecular weight of 480.66 g/mol. Its IUPAC name is N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
PubChem CID155566138
Molecular FormulaC24H28N6OS2
Molecular Weight480.66 g/mol
Exact Mass480.18
IUPAC NameN-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCc1cn(-c2ccc3nc(-c4c(NC(=O)CCNC(C)C)sc5c4CCNC5)sc3c2)cn1
InChIInChI=1S/C24H28N6OS2/c1-14(2)26-9-7-21(31)29-24-22(17-6-8-25-11-20(17)33-24)23-28-18-5-4-16(10-19(18)32-23)30-12-15(3)27-13-30/h4-5,10,12-14,25-26H,6-9,11H2,1-3H3,(H,29,31)
InChIKeyIGJQJDLMIWHBOB-UHFFFAOYSA-N
XLogP4.49
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide (CID 155566138) is N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide is Cc1cn(-c2ccc3nc(-c4c(NC(=O)CCNC(C)C)sc5c4CCNC5)sc3c2)cn1.
What is the InChIKey of N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide?
The InChIKey is IGJQJDLMIWHBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6OS2/c1-14(2)26-9-7-21(31)29-24-22(17-6-8-25-11-20(17)33-24)23-28-18-5-4-16(10-19(18)32-23)30-12-15(3)27-13-30/h4-5,10,12-14,25-26H,6-9,11H2,1-3H3,(H,29,31).
What are the key properties of N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide?
N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide has a molecular weight of 480.66 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methylimidazol-1-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 155566138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).