N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

C19H24N4OS — CID 51125406

IUPACN-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C19H24N4OS/c24-18(20-14-19(6-7-19)16-4-2-1-3-5-16)23-10-8-22(9-11-23)12-17-13-25-15-21-17/h1-5,13,15H,6-12,14H2,(H,20,24)
InChIKeyQANQBRFNFICXIF-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.70
Rot. Bonds5

About N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 51125406) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
PubChem CID51125406
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C19H24N4OS/c24-18(20-14-19(6-7-19)16-4-2-1-3-5-16)23-10-8-22(9-11-23)12-17-13-25-15-21-17/h1-5,13,15H,6-12,14H2,(H,20,24)
InChIKeyQANQBRFNFICXIF-UHFFFAOYSA-N
XLogP2.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 47071729
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 113213858
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 30303440
N-[(1-phenylcyclopropyl)methyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87003007
4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide
CID 119070855
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
[(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 95582058
N-[(1-phenylcyclopentyl)methyl]-1,4-thiazepane-4-carboxamide
CID 78886565
4-(1-hydroxyethyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438064
(2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide
CID 94809792
4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214295
N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144092

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (CID 51125406) is N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is O=C(NCC1(c2ccccc2)CC1)N1CCN(Cc2cscn2)CC1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is QANQBRFNFICXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-18(20-14-19(6-7-19)16-4-2-1-3-5-16)23-10-8-22(9-11-23)12-17-13-25-15-21-17/h1-5,13,15H,6-12,14H2,(H,20,24).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51125406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).