N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide

C14H21N3O2S — CID 813335

IUPACN-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1cnc(NC(=O)CN(CC(C)C)C(=O)C2CC2)s1
InChIInChI=1S/C14H21N3O2S/c1-9(2)7-17(13(19)11-4-5-11)8-12(18)16-14-15-6-10(3)20-14/h6,9,11H,4-5,7-8H2,1-3H3,(H,15,16,18)
InChIKeyRZXDQNIUEHDEFQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.28
Rot. Bonds6

About N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide

N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 813335) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID813335
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1cnc(NC(=O)CN(CC(C)C)C(=O)C2CC2)s1
InChIInChI=1S/C14H21N3O2S/c1-9(2)7-17(13(19)11-4-5-11)8-12(18)16-14-15-6-10(3)20-14/h6,9,11H,4-5,7-8H2,1-3H3,(H,15,16,18)
InChIKeyRZXDQNIUEHDEFQ-UHFFFAOYSA-N
XLogP2.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide (CID 813335) is N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide is Cc1cnc(NC(=O)CN(CC(C)C)C(=O)C2CC2)s1.
What is the InChIKey of N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is RZXDQNIUEHDEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9(2)7-17(13(19)11-4-5-11)8-12(18)16-14-15-6-10(3)20-14/h6,9,11H,4-5,7-8H2,1-3H3,(H,15,16,18).
What are the key properties of N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 813335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).