4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide

C12H21N5O2S — CID 116664869

IUPAC4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1sc(NCC)nc1N
InChIInChI=1S/C12H21N5O2S/c1-3-6-15-8(18)5-7-16-11(19)9-10(13)17-12(20-9)14-4-2/h3-7,13H2,1-2H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyZWNMPWGBFWQTQP-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.80
Rot. Bonds8

About 4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 116664869) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
PubChem CID116664869
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1sc(NCC)nc1N
InChIInChI=1S/C12H21N5O2S/c1-3-6-15-8(18)5-7-16-11(19)9-10(13)17-12(20-9)14-4-2/h3-7,13H2,1-2H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyZWNMPWGBFWQTQP-UHFFFAOYSA-N
XLogP0.80
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-2-(dimethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664873
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665947
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 106343636
4-amino-2-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670268
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617199
4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116673637
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671828
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide (CID 116664869) is 4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide is CCCNC(=O)CCNC(=O)c1sc(NCC)nc1N.
What is the InChIKey of 4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZWNMPWGBFWQTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-3-6-15-8(18)5-7-16-11(19)9-10(13)17-12(20-9)14-4-2/h3-7,13H2,1-2H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.80, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).