N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

C14H19N5O2S — CID 71990274

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCc1ncsc1CNC(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C14H19N5O2S/c1-11-13(22-10-16-11)8-15-14(20)19-5-3-18(4-6-19)9-12-2-7-21-17-12/h2,7,10H,3-6,8-9H2,1H3,(H,15,20)
InChIKeyTWLWKIKSIPOLBD-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.47
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 71990274) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID71990274
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCc1ncsc1CNC(=O)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C14H19N5O2S/c1-11-13(22-10-16-11)8-15-14(20)19-5-3-18(4-6-19)9-12-2-7-21-17-12/h2,7,10H,3-6,8-9H2,1H3,(H,15,20)
InChIKeyTWLWKIKSIPOLBD-UHFFFAOYSA-N
XLogP1.47
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868323
N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide
CID 131176570
4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
CID 86802855
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 84600062
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 119070661
(2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
CID 97353311
N-[(1R,3R)-3-cyclopropylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 95967566
4-(1,2-oxazol-3-ylmethyl)-N-(4-prop-2-ynoxyphenyl)piperazine-1-carboxamide
CID 71992266
N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 97318816
N-[1-(3-fluorophenyl)propan-2-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990030
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71989959
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (CID 71990274) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is Cc1ncsc1CNC(=O)N1CCN(Cc2ccon2)CC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is TWLWKIKSIPOLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11-13(22-10-16-11)8-15-14(20)19-5-3-18(4-6-19)9-12-2-7-21-17-12/h2,7,10H,3-6,8-9H2,1H3,(H,15,20).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71990274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).