4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide

C17H21N3O2S — CID 75416080

IUPAC4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)Nc2nc3c(s2)CCC3)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H21N3O2S/c1-4-6-11-14(10(3)21)9(2)18-15(11)16(22)20-17-19-12-7-5-8-13(12)23-17/h18H,4-8H2,1-3H3,(H,19,20,22)
InChIKeySZZGSDXKPWDTBZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.68
Rot. Bonds5

About 4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide (PubChem CID 75416080) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
PubChem CID75416080
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)Nc2nc3c(s2)CCC3)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H21N3O2S/c1-4-6-11-14(10(3)21)9(2)18-15(11)16(22)20-17-19-12-7-5-8-13(12)23-17/h18H,4-8H2,1-3H3,(H,19,20,22)
InChIKeySZZGSDXKPWDTBZ-UHFFFAOYSA-N
XLogP3.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide
CID 112838931
4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide
CID 31245847
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)benzamide
CID 62176858
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpentanamide
CID 54963900
4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123312
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 17191257
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
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)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
CID 56763271

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide (CID 75416080) is 4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide is CCCc1c(C(=O)Nc2nc3c(s2)CCC3)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is SZZGSDXKPWDTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-4-6-11-14(10(3)21)9(2)18-15(11)16(22)20-17-19-12-7-5-8-13(12)23-17/h18H,4-8H2,1-3H3,(H,19,20,22).
What are the key properties of 4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75416080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).