N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide

C13H21N3OS — CID 86919880

IUPACN-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCCCc1nc(CN(C)CC(=O)NC2CC2)cs1
InChIInChI=1S/C13H21N3OS/c1-3-4-13-15-11(9-18-13)7-16(2)8-12(17)14-10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyUHBKYXRRTINQSC-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.81
Rot. Bonds7

About N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide

N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide (PubChem CID 86919880) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
PubChem CID86919880
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCCCc1nc(CN(C)CC(=O)NC2CC2)cs1
InChIInChI=1S/C13H21N3OS/c1-3-4-13-15-11(9-18-13)7-16(2)8-12(17)14-10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyUHBKYXRRTINQSC-UHFFFAOYSA-N
XLogP1.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide
CID 36936730
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 39632677
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 47053575
N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 47070623
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377169
3-[(2-Ethyl-1,3-thiazol-4-yl)methylamino]azepan-2-one
CID 47397760
N-cyclopropyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 48110218
methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
CID 51095277
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 53515031
2-[Propan-2-yl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 53518958
1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 53521232

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide (CID 86919880) is N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide is CCCc1nc(CN(C)CC(=O)NC2CC2)cs1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The InChIKey is UHBKYXRRTINQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-4-13-15-11(9-18-13)7-16(2)8-12(17)14-10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 86919880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).