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

C21H26N4O2S2 — CID 155148061

IUPACN-[3-(5-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCOc1ccc2sc(-c3c(NC(=O)CCNC(C)C)sc4c3CCNC4)nc2c1
InChIInChI=1S/C21H26N4O2S2/c1-12(2)23-9-7-18(26)25-21-19(14-6-8-22-11-17(14)29-21)20-24-15-10-13(27-3)4-5-16(15)28-20/h4-5,10,12,22-23H,6-9,11H2,1-3H3,(H,25,26)
InChIKeyRZBBJXQMRUUURU-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.01
Rot. Bonds7

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

N-[3-(5-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide (PubChem CID 155148061) has the molecular formula C21H26N4O2S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[3-(5-methoxy-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-(5-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
PubChem CID155148061
Molecular FormulaC21H26N4O2S2
Molecular Weight430.60 g/mol
Exact Mass430.15
IUPAC NameN-[3-(5-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCOc1ccc2sc(-c3c(NC(=O)CCNC(C)C)sc4c3CCNC4)nc2c1
InChIInChI=1S/C21H26N4O2S2/c1-12(2)23-9-7-18(26)25-21-19(14-6-8-22-11-17(14)29-21)20-24-15-10-13(27-3)4-5-16(15)28-20/h4-5,10,12,22-23H,6-9,11H2,1-3H3,(H,25,26)
InChIKeyRZBBJXQMRUUURU-UHFFFAOYSA-N
XLogP4.01
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-(5-methoxy-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-(5-methoxy-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-(5-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide (CID 155148061) is N-[3-(5-methoxy-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-(5-methoxy-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-(5-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide is COc1ccc2sc(-c3c(NC(=O)CCNC(C)C)sc4c3CCNC4)nc2c1.
What is the InChIKey of N-[3-(5-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide?
The InChIKey is RZBBJXQMRUUURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S2/c1-12(2)23-9-7-18(26)25-21-19(14-6-8-22-11-17(14)29-21)20-24-15-10-13(27-3)4-5-16(15)28-20/h4-5,10,12,22-23H,6-9,11H2,1-3H3,(H,25,26).
What are the key properties of N-[3-(5-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide?
N-[3-(5-methoxy-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 430.60 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methoxy-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 155148061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).