N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide

C15H18N2OS2 — CID 2998856

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H18N2OS2/c18-14(9-3-5-11-6-4-10-19-11)17-15-16-12-7-1-2-8-13(12)20-15/h4,6,10H,1-3,5,7-9H2,(H,16,17,18)
InChIKeyXGJKXIQPTYXYCS-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.04
Rot. Bonds5

About N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide (PubChem CID 2998856) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide
PubChem CID2998856
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H18N2OS2/c18-14(9-3-5-11-6-4-10-19-11)17-15-16-12-7-1-2-8-13(12)20-15/h4,6,10H,1-3,5,7-9H2,(H,16,17,18)
InChIKeyXGJKXIQPTYXYCS-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 5310254
3-(2,6-difluorophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 55652063
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methylamino)butanamide
CID 119743801
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24611789
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridin-3-ylpropanamide
CID 33040096
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 33040507
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 25475323

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide (CID 2998856) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is XGJKXIQPTYXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c18-14(9-3-5-11-6-4-10-19-11)17-15-16-12-7-1-2-8-13(12)20-15/h4,6,10H,1-3,5,7-9H2,(H,16,17,18).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 306.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2998856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).