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

C12H16N4OS2 — CID 66390687

IUPAC2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2csc(C(C)N)n2)cs1
InChIInChI=1S/C12H16N4OS2/c1-7(13)11-15-10(6-19-11)12(17)16(3)4-9-5-18-8(2)14-9/h5-7H,4,13H2,1-3H3
InChIKeyGCHJQLRYSMVWOZ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.20
Rot. Bonds4

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

2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 66390687) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID66390687
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2csc(C(C)N)n2)cs1
InChIInChI=1S/C12H16N4OS2/c1-7(13)11-15-10(6-19-11)12(17)16(3)4-9-5-18-8(2)14-9/h5-7H,4,13H2,1-3H3
InChIKeyGCHJQLRYSMVWOZ-UHFFFAOYSA-N
XLogP2.20
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389821
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
2-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388886
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 86852399
2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
CID 66388279
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614966
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369479
2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide
CID 66374374
2-(1-aminoethyl)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 66374195
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 66390687) is 2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1nc(CN(C)C(=O)c2csc(C(C)N)n2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GCHJQLRYSMVWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-7(13)11-15-10(6-19-11)12(17)16(3)4-9-5-18-8(2)14-9/h5-7H,4,13H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66390687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).