N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide

C12H21N3OS — CID 120650729

IUPACN-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NC[C@@H](C)NCC)s1
InChIInChI=1S/C12H21N3OS/c1-4-6-11-14-8-10(17-11)12(16)15-7-9(3)13-5-2/h8-9,13H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyKISWOGQTKCUDEL-SECBINFHSA-N
MW255.39 g/mol
LogP1.82
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide

N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 120650729) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID120650729
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NC[C@@H](C)NCC)s1
InChIInChI=1S/C12H21N3OS/c1-4-6-11-14-8-10(17-11)12(16)15-7-9(3)13-5-2/h8-9,13H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyKISWOGQTKCUDEL-SECBINFHSA-N
XLogP1.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119499749
N-[(2R)-2-(ethylamino)propyl]thiadiazole-5-carboxamide;hydrochloride
CID 120651512
2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 110907781
(2S)-3-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119359365
N-[(2R)-2-(ethylamino)propyl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 120653284
(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363034
N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 126793620
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 111463024
2-ethyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111433740
2-[[(2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244787
N-[2-(1-hydroxyethyl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 75498535
N-[2-(4-chlorophenoxy)ethyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 57210461

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide (CID 120650729) is N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)NC[C@@H](C)NCC)s1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is KISWOGQTKCUDEL-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-6-11-14-8-10(17-11)12(16)15-7-9(3)13-5-2/h8-9,13H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120650729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).