[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone

C14H25N5OS — CID 116663215

IUPAC[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2sc(N(C)CC)nc2N)CC1
InChIInChI=1S/C14H25N5OS/c1-4-6-18-7-9-19(10-8-18)13(20)11-12(15)16-14(21-11)17(3)5-2/h4-10,15H2,1-3H3
InChIKeyGCPILYVGPPVOHA-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.35
Rot. Bonds5

About [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 116663215) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID116663215
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2sc(N(C)CC)nc2N)CC1
InChIInChI=1S/C14H25N5OS/c1-4-6-18-7-9-19(10-8-18)13(20)11-12(15)16-14(21-11)17(3)5-2/h4-10,15H2,1-3H3
InChIKeyGCPILYVGPPVOHA-UHFFFAOYSA-N
XLogP1.35
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670407
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(1,4-oxazepan-4-yl)methanone
CID 116665736
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674692
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone
CID 116666847
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107460347
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpiperidin-1-yl)methanone
CID 116673615
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 116673581
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone
CID 116670210
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 116665720
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 116669079
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107396564
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229399

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone (CID 116663215) is [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2sc(N(C)CC)nc2N)CC1.
What is the InChIKey of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is GCPILYVGPPVOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-4-6-18-7-9-19(10-8-18)13(20)11-12(15)16-14(21-11)17(3)5-2/h4-10,15H2,1-3H3.
What are the key properties of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone?
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 311.46 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 116663215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).