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

C24H28N6OS2 — CID 155148053

IUPACN-[3-[4-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1sc2c(c1-c1nc3c(-c4cnn(C)c4)cccc3s1)CCNC2
InChIInChI=1S/C24H28N6OS2/c1-14(2)26-10-8-20(31)28-23-21(17-7-9-25-12-19(17)33-23)24-29-22-16(5-4-6-18(22)32-24)15-11-27-30(3)13-15/h4-6,11,13-14,25-26H,7-10,12H2,1-3H3,(H,28,31)
InChIKeyGFODFUUKJYGZCX-UHFFFAOYSA-N
MW480.66 g/mol
LogP4.40
Rot. Bonds7

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

N-[3-[4-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide (PubChem CID 155148053) has the molecular formula C24H28N6OS2 and a molecular weight of 480.66 g/mol. Its IUPAC name is N-[3-[4-(1-methylpyrazol-4-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-[4-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
PubChem CID155148053
Molecular FormulaC24H28N6OS2
Molecular Weight480.66 g/mol
Exact Mass480.18
IUPAC NameN-[3-[4-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1sc2c(c1-c1nc3c(-c4cnn(C)c4)cccc3s1)CCNC2
InChIInChI=1S/C24H28N6OS2/c1-14(2)26-10-8-20(31)28-23-21(17-7-9-25-12-19(17)33-23)24-29-22-16(5-4-6-18(22)32-24)15-11-27-30(3)13-15/h4-6,11,13-14,25-26H,7-10,12H2,1-3H3,(H,28,31)
InChIKeyGFODFUUKJYGZCX-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[4-(1-methylpyrazol-4-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-[4-(1-methylpyrazol-4-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-[4-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide (CID 155148053) is N-[3-[4-(1-methylpyrazol-4-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-[4-(1-methylpyrazol-4-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-[4-(1-methylpyrazol-4-yl)-1,3-benzothiazol-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-c1nc3c(-c4cnn(C)c4)cccc3s1)CCNC2.
What is the InChIKey of N-[3-[4-(1-methylpyrazol-4-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 GFODFUUKJYGZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6OS2/c1-14(2)26-10-8-20(31)28-23-21(17-7-9-25-12-19(17)33-23)24-29-22-16(5-4-6-18(22)32-24)15-11-27-30(3)13-15/h4-6,11,13-14,25-26H,7-10,12H2,1-3H3,(H,28,31).
What are the key properties of N-[3-[4-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide?
N-[3-[4-(1-methylpyrazol-4-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 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-methylpyrazol-4-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 155148053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).