N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide

C13H21N3OS — CID 61192769

IUPACN-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
SMILESCc1nc(C)c(C(C)NC(C)C(=O)NC2CC2)s1
InChIInChI=1S/C13H21N3OS/c1-7(12-8(2)15-10(4)18-12)14-9(3)13(17)16-11-5-6-11/h7,9,11,14H,5-6H2,1-4H3,(H,16,17)
InChIKeyNSMVCCGOCJUPEV-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.08
Rot. Bonds5

About N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide

N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide (PubChem CID 61192769) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
PubChem CID61192769
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
SMILESCc1nc(C)c(C(C)NC(C)C(=O)NC2CC2)s1
InChIInChI=1S/C13H21N3OS/c1-7(12-8(2)15-10(4)18-12)14-9(3)13(17)16-11-5-6-11/h7,9,11,14H,5-6H2,1-4H3,(H,16,17)
InChIKeyNSMVCCGOCJUPEV-UHFFFAOYSA-N
XLogP2.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61067652
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 113248241
N-cyclopentyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 61193344
N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 62575829
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
N-cyclopropyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide
CID 113251345
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2-methylbutanoic acid
CID 79391642
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
methyl (2S)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutanoate
CID 63752427
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091070
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine
CID 54981247

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide (CID 61192769) is N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide is Cc1nc(C)c(C(C)NC(C)C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
The InChIKey is NSMVCCGOCJUPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-7(12-8(2)15-10(4)18-12)14-9(3)13(17)16-11-5-6-11/h7,9,11,14H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide has a molecular weight of 267.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide is sourced from PubChem (CID 61192769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).