methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate

C12H13N3O2S — CID 110317565

IUPACmethyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H13N3O2S/c1-17-12(16)14-7-5-11-15-10(8-18-11)9-4-2-3-6-13-9/h2-4,6,8H,5,7H2,1H3,(H,14,16)
InChIKeyPFHLEIXPVNPHFL-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.10
Rot. Bonds4

About methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate

methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate (PubChem CID 110317565) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
PubChem CID110317565
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Namemethyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H13N3O2S/c1-17-12(16)14-7-5-11-15-10(8-18-11)9-4-2-3-6-13-9/h2-4,6,8H,5,7H2,1H3,(H,14,16)
InChIKeyPFHLEIXPVNPHFL-UHFFFAOYSA-N
XLogP2.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
3-methoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317530
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648739
5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126260
5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 146128448
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate (CID 110317565) is methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate is COC(=O)NCCc1nc(-c2ccccn2)cs1.
What is the InChIKey of methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate?
The InChIKey is PFHLEIXPVNPHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-17-12(16)14-7-5-11-15-10(8-18-11)9-4-2-3-6-13-9/h2-4,6,8H,5,7H2,1H3,(H,14,16).
What are the key properties of methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate?
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate has a molecular weight of 263.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 110317565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).