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

C20H24N4O2S — CID 155548745

IUPACN-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3o1)CCNC2
InChIInChI=1S/C20H24N4O2S/c1-12(2)22-10-8-17(25)24-20-18(13-7-9-21-11-16(13)27-20)19-23-14-5-3-4-6-15(14)26-19/h3-6,12,21-22H,7-11H2,1-2H3,(H,24,25)
InChIKeyPHCKSJRXOZBBRZ-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.53
Rot. Bonds6

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

N-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide (PubChem CID 155548745) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
PubChem CID155548745
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3o1)CCNC2
InChIInChI=1S/C20H24N4O2S/c1-12(2)22-10-8-17(25)24-20-18(13-7-9-21-11-16(13)27-20)19-23-14-5-3-4-6-15(14)26-19/h3-6,12,21-22H,7-11H2,1-2H3,(H,24,25)
InChIKeyPHCKSJRXOZBBRZ-UHFFFAOYSA-N
XLogP3.53
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide (CID 155548745) is N-[3-(1,3-benzoxazol-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-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3o1)CCNC2.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide?
The InChIKey is PHCKSJRXOZBBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12(2)22-10-8-17(25)24-20-18(13-7-9-21-11-16(13)27-20)19-23-14-5-3-4-6-15(14)26-19/h3-6,12,21-22H,7-11H2,1-2H3,(H,24,25).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide?
N-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide has a molecular weight of 384.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 155548745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).