2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate

C10H17N5O3S — CID 116672206

IUPAC2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
SMILESCC(C)Nc1nc(N)c(C(=O)NCCOC(N)=O)s1
InChIInChI=1S/C10H17N5O3S/c1-5(2)14-10-15-7(11)6(19-10)8(16)13-3-4-18-9(12)17/h5H,3-4,11H2,1-2H3,(H2,12,17)(H,13,16)(H,14,15)
InChIKeyIXLWGAGOGITSKQ-UHFFFAOYSA-N
MW287.35 g/mol
LogP0.37
Rot. Bonds6

About 2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate

2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate (PubChem CID 116672206) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
PubChem CID116672206
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
SMILESCC(C)Nc1nc(N)c(C(=O)NCCOC(N)=O)s1
InChIInChI=1S/C10H17N5O3S/c1-5(2)14-10-15-7(11)6(19-10)8(16)13-3-4-18-9(12)17/h5H,3-4,11H2,1-2H3,(H2,12,17)(H,13,16)(H,14,15)
InChIKeyIXLWGAGOGITSKQ-UHFFFAOYSA-N
XLogP0.37
TPSA132.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 114469889
4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106242061
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-[3-(diethylamino)propyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668564
2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672210
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
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-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625
4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106044271

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate?
The IUPAC name of 2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate (CID 116672206) is 2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate is CC(C)Nc1nc(N)c(C(=O)NCCOC(N)=O)s1.
What is the InChIKey of 2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate?
The InChIKey is IXLWGAGOGITSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-5(2)14-10-15-7(11)6(19-10)8(16)13-3-4-18-9(12)17/h5H,3-4,11H2,1-2H3,(H2,12,17)(H,13,16)(H,14,15).
What are the key properties of 2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate?
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate has a molecular weight of 287.35 g/mol, XLogP of 0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate is sourced from PubChem (CID 116672206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).