4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide

C12H21N3OS — CID 120565744

IUPAC4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
SMILESCc1nc(CCNC(=O)CCC(C)N)sc1C
InChIInChI=1S/C12H21N3OS/c1-8(13)4-5-11(16)14-7-6-12-15-9(2)10(3)17-12/h8H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyRUWJCILLAYHSIY-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.55
Rot. Bonds6

About 4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide

4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide (PubChem CID 120565744) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
PubChem CID120565744
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
SMILESCc1nc(CCNC(=O)CCC(C)N)sc1C
InChIInChI=1S/C12H21N3OS/c1-8(13)4-5-11(16)14-7-6-12-15-9(2)10(3)17-12/h8H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyRUWJCILLAYHSIY-UHFFFAOYSA-N
XLogP1.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 119891761
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 91760478
(2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide
CID 119891763
N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388675
2-(4-aminophenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119891738
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 91833958
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119891776
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 97122807
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119891775
4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride
CID 120562805
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388742
2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 110460143

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide (CID 120565744) is 4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide is Cc1nc(CCNC(=O)CCC(C)N)sc1C.
What is the InChIKey of 4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide?
The InChIKey is RUWJCILLAYHSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(13)4-5-11(16)14-7-6-12-15-9(2)10(3)17-12/h8H,4-7,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide?
4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide has a molecular weight of 255.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide is sourced from PubChem (CID 120565744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).