N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide

C17H20N2OS — CID 42780816

IUPACN-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCCc1ccccc1)Cc1nccs1
InChIInChI=1S/C17H20N2OS/c20-17(15-8-9-15)19(13-16-18-10-12-21-16)11-4-7-14-5-2-1-3-6-14/h1-3,5-6,10,12,15H,4,7-9,11,13H2
InChIKeyVULZQPRQTCXZER-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.51
Rot. Bonds7

About N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide

N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide (PubChem CID 42780816) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
PubChem CID42780816
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCCc1ccccc1)Cc1nccs1
InChIInChI=1S/C17H20N2OS/c20-17(15-8-9-15)19(13-16-18-10-12-21-16)11-4-7-14-5-2-1-3-6-14/h1-3,5-6,10,12,15H,4,7-9,11,13H2
InChIKeyVULZQPRQTCXZER-UHFFFAOYSA-N
XLogP3.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42788283
N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 50960994
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 110715819
N-cyclopentyl-2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 158834559
N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one
CID 79824416
1-benzyl-3-(1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 119059665
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 4017696
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 95140328
N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide
CID 168720733
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide (CID 42780816) is N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide is O=C(C1CC1)N(CCCc1ccccc1)Cc1nccs1.
What is the InChIKey of N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide?
The InChIKey is VULZQPRQTCXZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(15-8-9-15)19(13-16-18-10-12-21-16)11-4-7-14-5-2-1-3-6-14/h1-3,5-6,10,12,15H,4,7-9,11,13H2.
What are the key properties of N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide?
N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 42780816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).