2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide

C13H14N4O2S — CID 62792584

IUPAC2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C13H14N4O2S/c1-9-11(20-13(15)16-9)12(18)17(6-3-5-14)8-10-4-2-7-19-10/h2,4,7H,3,6,8H2,1H3,(H2,15,16)
InChIKeyVIFBGXVQVMEZBT-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.18
Rot. Bonds5

About 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 62792584) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID62792584
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C13H14N4O2S/c1-9-11(20-13(15)16-9)12(18)17(6-3-5-14)8-10-4-2-7-19-10/h2,4,7H,3,6,8H2,1H3,(H2,15,16)
InChIKeyVIFBGXVQVMEZBT-UHFFFAOYSA-N
XLogP2.18
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(2-cyanoethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792882
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 79805676
4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60519774
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 106853587
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55115862
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
4-(chloromethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60948719
4-(bromomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 102851366

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 62792584) is 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)N(CCC#N)Cc1ccco1.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VIFBGXVQVMEZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-9-11(20-13(15)16-9)12(18)17(6-3-5-14)8-10-4-2-7-19-10/h2,4,7H,3,6,8H2,1H3,(H2,15,16).
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62792584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).