propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate

C10H17N3O2S — CID 116674047

IUPACpropyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCCOC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C10H17N3O2S/c1-4-5-15-9(14)7-8(11)13-10(16-7)12-6(2)3/h6H,4-5,11H2,1-3H3,(H,12,13)
InChIKeySUAFHMUGWROHDX-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.11
Rot. Bonds5

About propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate

propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 116674047) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID116674047
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Namepropyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCCOC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C10H17N3O2S/c1-4-5-15-9(14)7-8(11)13-10(16-7)12-6(2)3/h6H,4-5,11H2,1-3H3,(H,12,13)
InChIKeySUAFHMUGWROHDX-UHFFFAOYSA-N
XLogP2.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate
CID 116674040
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate
CID 116674050
4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664402
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664503
4-amino-N-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625
4-amino-N-ethyl-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663472
4-amino-N-(1-methoxypentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666894
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666292
4-amino-N-methyl-N-pentan-3-yl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670351

Frequently Asked Questions

What is the IUPAC name of propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate (CID 116674047) is propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate is CCCOC(=O)c1sc(NC(C)C)nc1N.
What is the InChIKey of propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is SUAFHMUGWROHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-5-15-9(14)7-8(11)13-10(16-7)12-6(2)3/h6H,4-5,11H2,1-3H3,(H,12,13).
What are the key properties of propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate?
propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 243.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 116674047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).