N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide

C12H21N5OS — CID 121499949

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NCc1csc(N)n1)N1CCN(C)CC1
InChIInChI=1S/C12H21N5OS/c1-9(17-5-3-16(2)4-6-17)11(18)14-7-10-8-19-12(13)15-10/h8-9H,3-7H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyAOEXBKZDUKYYHX-UHFFFAOYSA-N
MW283.40 g/mol
LogP-0.02
Rot. Bonds4

About N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 121499949) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID121499949
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NCc1csc(N)n1)N1CCN(C)CC1
InChIInChI=1S/C12H21N5OS/c1-9(17-5-3-16(2)4-6-17)11(18)14-7-10-8-19-12(13)15-10/h8-9H,3-7H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyAOEXBKZDUKYYHX-UHFFFAOYSA-N
XLogP-0.02
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 97208174
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
CID 110717958
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129943
(2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 126446137
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
(2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97209190
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27104700
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110718046

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide (CID 121499949) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide is CC(C(=O)NCc1csc(N)n1)N1CCN(C)CC1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is AOEXBKZDUKYYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-9(17-5-3-16(2)4-6-17)11(18)14-7-10-8-19-12(13)15-10/h8-9H,3-7H2,1-2H3,(H2,13,15)(H,14,18).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 283.40 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 121499949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).