N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C12H19N5O2S — CID 3066971

IUPACN-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19N5O2S/c1-14(2)11(18)15(3)12(19)17-7-5-16(6-8-17)10-13-4-9-20-10/h4,9H,5-8H2,1-3H3
InChIKeyDUWZDTXSIHRVBD-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.00
Rot. Bonds1

About N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 3066971) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID3066971
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19N5O2S/c1-14(2)11(18)15(3)12(19)17-7-5-16(6-8-17)10-13-4-9-20-10/h4,9H,5-8H2,1-3H3
InChIKeyDUWZDTXSIHRVBD-UHFFFAOYSA-N
XLogP1.00
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 3066971) is N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is CN(C)C(=O)N(C)C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is DUWZDTXSIHRVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-14(2)11(18)15(3)12(19)17-7-5-16(6-8-17)10-13-4-9-20-10/h4,9H,5-8H2,1-3H3.
What are the key properties of N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoyl)-N-methyl-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 3066971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).