3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide

C12H18N4O2S — CID 103379447

IUPAC3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
SMILESCC1COCCN1c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H18N4O2S/c1-7-6-18-5-4-16(7)12-9(10(13)15-19-12)11(17)14-8-2-3-8/h7-8H,2-6H2,1H3,(H2,13,15)(H,14,17)
InChIKeyDAGHSJFRADCQKE-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.84
Rot. Bonds3

About 3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide (PubChem CID 103379447) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
PubChem CID103379447
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
SMILESCC1COCCN1c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H18N4O2S/c1-7-6-18-5-4-16(7)12-9(10(13)15-19-12)11(17)14-8-2-3-8/h7-8H,2-6H2,1H3,(H2,13,15)(H,14,17)
InChIKeyDAGHSJFRADCQKE-UHFFFAOYSA-N
XLogP0.84
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103380765
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381010
4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine
CID 103360446
3-amino-N-cyclopropyl-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380799
3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103542356
4-ethoxy-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine
CID 103360444
3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380603
3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide
CID 103383893
3-amino-N-cyclopropyl-5-(3-propylpyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103384031
3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103382016
3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
CID 103380188
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide (CID 103379447) is 3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide is CC1COCCN1c1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is DAGHSJFRADCQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-7-6-18-5-4-16(7)12-9(10(13)15-19-12)11(17)14-8-2-3-8/h7-8H,2-6H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).