2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole

C14H23NS — CID 58032030

IUPAC2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole
SMILESC=C(C(C)C)C(Cc1nccs1)C(C)(C)C
InChIInChI=1S/C14H23NS/c1-10(2)11(3)12(14(4,5)6)9-13-15-7-8-16-13/h7-8,10,12H,3,9H2,1-2,4-6H3
InChIKeyAKYHPKKLBYAQRN-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.56
Rot. Bonds4

About 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole

2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole (PubChem CID 58032030) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole
PubChem CID58032030
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole
SMILESC=C(C(C)C)C(Cc1nccs1)C(C)(C)C
InChIInChI=1S/C14H23NS/c1-10(2)11(3)12(14(4,5)6)9-13-15-7-8-16-13/h7-8,10,12H,3,9H2,1-2,4-6H3
InChIKeyAKYHPKKLBYAQRN-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole
CID 83143079
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
4,5,5-trimethyl-1-(1,3-thiazol-2-yl)hexan-2-one
CID 115786460
(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 59948549
[3-methyl-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105199664
2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825119
1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825227
dipropan-2-yl 2-(1,3-thiazol-2-ylmethyl)propanedioate
CID 103972762
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576
3-ethoxy-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 116709921

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole?
The IUPAC name of 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole (CID 58032030) is 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole?
The canonical SMILES for 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole is C=C(C(C)C)C(Cc1nccs1)C(C)(C)C.
What is the InChIKey of 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole?
The InChIKey is AKYHPKKLBYAQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-10(2)11(3)12(14(4,5)6)9-13-15-7-8-16-13/h7-8,10,12H,3,9H2,1-2,4-6H3.
What are the key properties of 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole?
2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole has a molecular weight of 237.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methyl-3-methylidenepentyl)-1,3-thiazole is sourced from PubChem (CID 58032030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).