4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C14H23N5OS — CID 116666434

IUPAC4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC1CC1CN(C)C(=O)c1sc(N2CCNCC2)nc1N
InChIInChI=1S/C14H23N5OS/c1-9-7-10(9)8-18(2)13(20)11-12(15)17-14(21-11)19-5-3-16-4-6-19/h9-10,16H,3-8,15H2,1-2H3
InChIKeyKTAVGYYAGMNUAA-UHFFFAOYSA-N
MW309.44 g/mol
LogP0.86
Rot. Bonds4

About 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116666434) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116666434
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC1CC1CN(C)C(=O)c1sc(N2CCNCC2)nc1N
InChIInChI=1S/C14H23N5OS/c1-9-7-10(9)8-18(2)13(20)11-12(15)17-14(21-11)19-5-3-16-4-6-19/h9-10,16H,3-8,15H2,1-2H3
InChIKeyKTAVGYYAGMNUAA-UHFFFAOYSA-N
XLogP0.86
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 116666434) is 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is CC1CC1CN(C)C(=O)c1sc(N2CCNCC2)nc1N.
What is the InChIKey of 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KTAVGYYAGMNUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-9-7-10(9)8-18(2)13(20)11-12(15)17-14(21-11)19-5-3-16-4-6-19/h9-10,16H,3-8,15H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).