N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

C14H18N4O2S — CID 50982992

IUPACN-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C14H18N4O2S/c1-14(2,18-12(19)11-4-3-7-21-11)13(20)16-6-5-10-8-15-9-17-10/h3-4,7-9H,5-6H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyLYLMSJWQBYFKAW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.34
Rot. Bonds6

About N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 50982992) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID50982992
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C14H18N4O2S/c1-14(2,18-12(19)11-4-3-7-21-11)13(20)16-6-5-10-8-15-9-17-10/h3-4,7-9H,5-6H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyLYLMSJWQBYFKAW-UHFFFAOYSA-N
XLogP1.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 50982992) is N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(C)(NC(=O)c1cccs1)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is LYLMSJWQBYFKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-14(2,18-12(19)11-4-3-7-21-11)13(20)16-6-5-10-8-15-9-17-10/h3-4,7-9H,5-6H2,1-2H3,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 50982992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).