4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole

C25H29NS — CID 142919796

IUPAC4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole
SMILESC=C(C)C1=C(C)C(CC2CCCC2)C(c2csc(-c3ccc(C)cc3)n2)=C1
InChIInChI=1S/C25H29NS/c1-16(2)21-14-23(22(18(21)4)13-19-7-5-6-8-19)24-15-27-25(26-24)20-11-9-17(3)10-12-20/h9-12,14-15,19,22H,1,5-8,13H2,2-4H3
InChIKeyDLQSDCVHVVEKNJ-UHFFFAOYSA-N
MW375.58 g/mol
LogP7.60
Rot. Bonds5

About 4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole

4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 142919796) has the molecular formula C25H29NS and a molecular weight of 375.58 g/mol. Its IUPAC name is 4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole
PubChem CID142919796
Molecular FormulaC25H29NS
Molecular Weight375.58 g/mol
Exact Mass375.20
IUPAC Name4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole
SMILESC=C(C)C1=C(C)C(CC2CCCC2)C(c2csc(-c3ccc(C)cc3)n2)=C1
InChIInChI=1S/C25H29NS/c1-16(2)21-14-23(22(18(21)4)13-19-7-5-6-8-19)24-15-27-25(26-24)20-11-9-17(3)10-12-20/h9-12,14-15,19,22H,1,5-8,13H2,2-4H3
InChIKeyDLQSDCVHVVEKNJ-UHFFFAOYSA-N
XLogP7.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.58
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole with MolForge

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Related Compounds

butane;4-(5-cyclopentyl-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl)-2-(3-ethylphenyl)-1,3-thiazole
CID 142919869
2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde
CID 144801100
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine
CID 116888903
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 108738413
2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 91570843
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815631
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole (CID 142919796) is 4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole is C=C(C)C1=C(C)C(CC2CCCC2)C(c2csc(-c3ccc(C)cc3)n2)=C1.
What is the InChIKey of 4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is DLQSDCVHVVEKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NS/c1-16(2)21-14-23(22(18(21)4)13-19-7-5-6-8-19)24-15-27-25(26-24)20-11-9-17(3)10-12-20/h9-12,14-15,19,22H,1,5-8,13H2,2-4H3.
What are the key properties of 4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole?
4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 375.58 g/mol, XLogP of 7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 142919796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).