N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C17H17N3OS2 — CID 128963509

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(CC(c1ccsc1)n1cccc1)Nc1nc2c(s1)CCC2
InChIInChI=1S/C17H17N3OS2/c21-16(19-17-18-13-4-3-5-15(13)23-17)10-14(12-6-9-22-11-12)20-7-1-2-8-20/h1-2,6-9,11,14H,3-5,10H2,(H,18,19,21)
InChIKeyXSPCYLAASOMSFX-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.11
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 128963509) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID128963509
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(CC(c1ccsc1)n1cccc1)Nc1nc2c(s1)CCC2
InChIInChI=1S/C17H17N3OS2/c21-16(19-17-18-13-4-3-5-15(13)23-17)10-14(12-6-9-22-11-12)20-7-1-2-8-20/h1-2,6-9,11,14H,3-5,10H2,(H,18,19,21)
InChIKeyXSPCYLAASOMSFX-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963487
3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 2931255
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962816
(3R)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431106
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7254526
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963508
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254584
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxypentanamide
CID 79192385
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 128963509) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is O=C(CC(c1ccsc1)n1cccc1)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is XSPCYLAASOMSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c21-16(19-17-18-13-4-3-5-15(13)23-17)10-14(12-6-9-22-11-12)20-7-1-2-8-20/h1-2,6-9,11,14H,3-5,10H2,(H,18,19,21).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 343.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 128963509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).