4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

C10H16N4O2S — CID 116664274

IUPAC4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)N(CCO)C2CC2)s1
InChIInChI=1S/C10H16N4O2S/c1-12-10-13-8(11)7(17-10)9(16)14(4-5-15)6-2-3-6/h6,15H,2-5,11H2,1H3,(H,12,13)
InChIKeyLJAJBSLOYBPLOT-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.36
Rot. Bonds5

About 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116664274) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116664274
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)N(CCO)C2CC2)s1
InChIInChI=1S/C10H16N4O2S/c1-12-10-13-8(11)7(17-10)9(16)14(4-5-15)6-2-3-6/h6,15H,2-5,11H2,1H3,(H,12,13)
InChIKeyLJAJBSLOYBPLOT-UHFFFAOYSA-N
XLogP0.36
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-cyclohexyl-2-(dimethylamino)-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116664324
N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102870469
4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439
4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670684
4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116667308
4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663308
propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate
CID 116674040
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 81035171
4-amino-N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671276
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106368446
4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663250
4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116664274) is 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)N(CCO)C2CC2)s1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is LJAJBSLOYBPLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-12-10-13-8(11)7(17-10)9(16)14(4-5-15)6-2-3-6/h6,15H,2-5,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).