4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C12H21N5O2S — CID 106242061

IUPAC4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCCCCC(N)=O)s1
InChIInChI=1S/C12H21N5O2S/c1-7(2)16-12-17-10(14)9(20-12)11(19)15-6-4-3-5-8(13)18/h7H,3-6,14H2,1-2H3,(H2,13,18)(H,15,19)(H,16,17)
InChIKeyVZKQTFUGOKEISG-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.93
Rot. Bonds8

About 4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106242061) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID106242061
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCCCCC(N)=O)s1
InChIInChI=1S/C12H21N5O2S/c1-7(2)16-12-17-10(14)9(20-12)11(19)15-6-4-3-5-8(13)18/h7H,3-6,14H2,1-2H3,(H2,13,18)(H,15,19)(H,16,17)
InChIKeyVZKQTFUGOKEISG-UHFFFAOYSA-N
XLogP0.93
TPSA123.13 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 ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-N-(5-amino-5-oxopentyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106242070
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206
4-amino-N-[3-(diethylamino)propyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668564
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106343623
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 114469889
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116665759
4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106044271
4-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669861

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 106242061) is 4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NCCCCC(N)=O)s1.
What is the InChIKey of 4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is VZKQTFUGOKEISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-7(2)16-12-17-10(14)9(20-12)11(19)15-6-4-3-5-8(13)18/h7H,3-6,14H2,1-2H3,(H2,13,18)(H,15,19)(H,16,17).
What are the key properties of 4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.93, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106242061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).