2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide

C14H20N4OS2 — CID 120647240

IUPAC2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCCC(C)(NC(=O)c1csc(CCN)n1)c1nc(C)cs1
InChIInChI=1S/C14H20N4OS2/c1-4-14(3,13-16-9(2)7-21-13)18-12(19)10-8-20-11(17-10)5-6-15/h7-8H,4-6,15H2,1-3H3,(H,18,19)
InChIKeyYHMQXQGJAFOYCO-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.46
Rot. Bonds6

About 2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 120647240) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID120647240
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCCC(C)(NC(=O)c1csc(CCN)n1)c1nc(C)cs1
InChIInChI=1S/C14H20N4OS2/c1-4-14(3,13-16-9(2)7-21-13)18-12(19)10-8-20-11(17-10)5-6-15/h7-8H,4-6,15H2,1-3H3,(H,18,19)
InChIKeyYHMQXQGJAFOYCO-UHFFFAOYSA-N
XLogP2.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 119892020
ethyl 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630693
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892019
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66372668
2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616584
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120628805
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoyl]benzoic acid
CID 97328440
2-(2-aminoethyl)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 120630938
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 79798385

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide (CID 120647240) is 2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide is CCC(C)(NC(=O)c1csc(CCN)n1)c1nc(C)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is YHMQXQGJAFOYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-4-14(3,13-16-9(2)7-21-13)18-12(19)10-8-20-11(17-10)5-6-15/h7-8H,4-6,15H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 324.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120647240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).