[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone

C9H14N4OS — CID 82509879

IUPAC[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
SMILESCNc1nc(C(=O)N2CCNCC2)cs1
InChIInChI=1S/C9H14N4OS/c1-10-9-12-7(6-15-9)8(14)13-4-2-11-3-5-13/h6,11H,2-5H2,1H3,(H,10,12)
InChIKeyCCISAMXLCJGIAD-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.23
Rot. Bonds2

About [2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone

[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 82509879) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is [2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
PubChem CID82509879
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
SMILESCNc1nc(C(=O)N2CCNCC2)cs1
InChIInChI=1S/C9H14N4OS/c1-10-9-12-7(6-15-9)8(14)13-4-2-11-3-5-13/h6,11H,2-5H2,1H3,(H,10,12)
InChIKeyCCISAMXLCJGIAD-UHFFFAOYSA-N
XLogP0.23
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515115
[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 77097002
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72941054
3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 39162541
[4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 70765937
[2-(methylamino)-1,3-thiazol-4-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70745608
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 116662866
1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one
CID 136516092
2-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetonitrile
CID 82510699
[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515785
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876721
(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136481

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone (CID 82509879) is [2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone is CNc1nc(C(=O)N2CCNCC2)cs1.
What is the InChIKey of [2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is CCISAMXLCJGIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-10-9-12-7(6-15-9)8(14)13-4-2-11-3-5-13/h6,11H,2-5H2,1H3,(H,10,12).
What are the key properties of [2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 226.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82509879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).