4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

C15H22N4OS — CID 75375387

IUPAC4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NC(c1nccs1)C1CC1)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H22N4OS/c20-15(19-8-6-18(7-9-19)12-3-4-12)17-13(11-1-2-11)14-16-5-10-21-14/h5,10-13H,1-4,6-9H2,(H,17,20)
InChIKeyQVFDTGOGFXVWKO-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.08
Rot. Bonds4

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

4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 75375387) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID75375387
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NC(c1nccs1)C1CC1)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H22N4OS/c20-15(19-8-6-18(7-9-19)12-3-4-12)17-13(11-1-2-11)14-16-5-10-21-14/h5,10-13H,1-4,6-9H2,(H,17,20)
InChIKeyQVFDTGOGFXVWKO-UHFFFAOYSA-N
XLogP2.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 126784853
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71922979
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97012993
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea
CID 96527501
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 115724082
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 111540388
N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 124989644
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 124607694
2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 110090225
1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
CID 71925622
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (CID 75375387) is 4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is O=C(NC(c1nccs1)C1CC1)N1CCN(C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is QVFDTGOGFXVWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c20-15(19-8-6-18(7-9-19)12-3-4-12)17-13(11-1-2-11)14-16-5-10-21-14/h5,10-13H,1-4,6-9H2,(H,17,20).
What are the key properties of 4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 75375387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).