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

C12H19N5O2S — CID 116673985

IUPAC4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCNCC2)sc1C(=O)NC1(CO)CC1
InChIInChI=1S/C12H19N5O2S/c13-9-8(10(19)16-12(7-18)1-2-12)20-11(15-9)17-5-3-14-4-6-17/h14,18H,1-7,13H2,(H,16,19)
InChIKeyUHCSCYHYZMJVTH-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.61
Rot. Bonds4

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

4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116673985) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116673985
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCNCC2)sc1C(=O)NC1(CO)CC1
InChIInChI=1S/C12H19N5O2S/c13-9-8(10(19)16-12(7-18)1-2-12)20-11(15-9)17-5-3-14-4-6-17/h14,18H,1-7,13H2,(H,16,19)
InChIKeyUHCSCYHYZMJVTH-UHFFFAOYSA-N
XLogP-0.61
TPSA103.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116671747
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
N-(2-acetamidoethyl)-4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116670168
4-amino-2-piperazin-1-yl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
CID 116670151
4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116672779
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116673986
4-amino-2-piperazin-1-yl-N-(thiolan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 107299087
4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673565
4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664825
4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668889
4-amino-2-piperazin-1-yl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 106434169
4-amino-2-piperazin-1-yl-N-(thian-3-yl)-1,3-thiazole-5-carboxamide
CID 116673887

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 116673985) is 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is Nc1nc(N2CCNCC2)sc1C(=O)NC1(CO)CC1.
What is the InChIKey of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UHCSCYHYZMJVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c13-9-8(10(19)16-12(7-18)1-2-12)20-11(15-9)17-5-3-14-4-6-17/h14,18H,1-7,13H2,(H,16,19).
What are the key properties of 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 297.38 g/mol, XLogP of -0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(hydroxymethyl)cyclopropyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).