N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

C12H19N5O2S — CID 37258865

IUPACN-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)CCN1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19N5O2S/c1-13-11(19)15-10(18)2-4-16-5-7-17(8-6-16)12-14-3-9-20-12/h3,9H,2,4-8H2,1H3,(H2,13,15,18,19)
InChIKeySAMBQVNJRPNUTL-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.11
Rot. Bonds4

About N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 37258865) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
PubChem CID37258865
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)CCN1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19N5O2S/c1-13-11(19)15-10(18)2-4-16-5-7-17(8-6-16)12-14-3-9-20-12/h3,9H,2,4-8H2,1H3,(H2,13,15,18,19)
InChIKeySAMBQVNJRPNUTL-UHFFFAOYSA-N
XLogP0.11
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (CID 37258865) is N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is CNC(=O)NC(=O)CCN1CCN(c2nccs2)CC1.
What is the InChIKey of N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is SAMBQVNJRPNUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-13-11(19)15-10(18)2-4-16-5-7-17(8-6-16)12-14-3-9-20-12/h3,9H,2,4-8H2,1H3,(H2,13,15,18,19).
What are the key properties of N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 297.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 37258865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).