[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone

C9H15N5OS — CID 116662866

IUPAC[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCNc1nc(N)c(C(=O)N2CCNCC2)s1
InChIInChI=1S/C9H15N5OS/c1-11-9-13-7(10)6(16-9)8(15)14-4-2-12-3-5-14/h12H,2-5,10H2,1H3,(H,11,13)
InChIKeyZBZJYWNYPIVBKC-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.19
Rot. Bonds2

About [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (PubChem CID 116662866) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
PubChem CID116662866
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCNc1nc(N)c(C(=O)N2CCNCC2)s1
InChIInChI=1S/C9H15N5OS/c1-11-9-13-7(10)6(16-9)8(15)14-4-2-12-3-5-14/h12H,2-5,10H2,1H3,(H,11,13)
InChIKeyZBZJYWNYPIVBKC-UHFFFAOYSA-N
XLogP-0.19
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667406
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 116662886
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 116663334
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
CID 116670458
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-tert-butylpyrrolidin-1-yl)methanone
CID 116672505
4-amino-2-(methylamino)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 116663035
1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 116667373
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667409
6-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 116671806
[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82509879

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (CID 116662866) is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is CNc1nc(N)c(C(=O)N2CCNCC2)s1.
What is the InChIKey of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The InChIKey is ZBZJYWNYPIVBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-11-9-13-7(10)6(16-9)8(15)14-4-2-12-3-5-14/h12H,2-5,10H2,1H3,(H,11,13).
What are the key properties of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone has a molecular weight of 241.32 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 116662866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).