(4-methyl-1,3-thiazol-2-yl)methyl pentanoate

C10H15NO2S — CID 70669978

IUPAC(4-methyl-1,3-thiazol-2-yl)methyl pentanoate
SMILESCCCCC(=O)OCc1nc(C)cs1
InChIInChI=1S/C10H15NO2S/c1-3-4-5-10(12)13-6-9-11-8(2)7-14-9/h7H,3-6H2,1-2H3
InChIKeyUSMDGLQXAPHOOQ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.68
Rot. Bonds5

About (4-methyl-1,3-thiazol-2-yl)methyl pentanoate

(4-methyl-1,3-thiazol-2-yl)methyl pentanoate (PubChem CID 70669978) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-2-yl)methyl pentanoate.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-2-yl)methyl pentanoate
PubChem CID70669978
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(4-methyl-1,3-thiazol-2-yl)methyl pentanoate
SMILESCCCCC(=O)OCc1nc(C)cs1
InChIInChI=1S/C10H15NO2S/c1-3-4-5-10(12)13-6-9-11-8(2)7-14-9/h7H,3-6H2,1-2H3
InChIKeyUSMDGLQXAPHOOQ-UHFFFAOYSA-N
XLogP2.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-1,3-thiazol-4-yl)methyl hexanoate
CID 78842387
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
CID 78993745
3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
CID 116556825
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
butyl (2R)-3-methylsulfanyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxycarbonylamino]propanoate
CID 71128791
(5-methyl-1,3,4-thiadiazol-2-yl)methyl hexanoate
CID 75441879
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
CID 63240116
3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 1497792
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate
CID 20946482
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-2-yl)methyl pentanoate?
The IUPAC name of (4-methyl-1,3-thiazol-2-yl)methyl pentanoate (CID 70669978) is (4-methyl-1,3-thiazol-2-yl)methyl pentanoate.
What is the SMILES notation for (4-methyl-1,3-thiazol-2-yl)methyl pentanoate?
The canonical SMILES for (4-methyl-1,3-thiazol-2-yl)methyl pentanoate is CCCCC(=O)OCc1nc(C)cs1.
What is the InChIKey of (4-methyl-1,3-thiazol-2-yl)methyl pentanoate?
The InChIKey is USMDGLQXAPHOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-4-5-10(12)13-6-9-11-8(2)7-14-9/h7H,3-6H2,1-2H3.
What are the key properties of (4-methyl-1,3-thiazol-2-yl)methyl pentanoate?
(4-methyl-1,3-thiazol-2-yl)methyl pentanoate has a molecular weight of 213.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-2-yl)methyl pentanoate is sourced from PubChem (CID 70669978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).