3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide

C11H18N4O2S — CID 114113452

IUPAC3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide
SMILESCOCCC1(CNc2snc(N)c2C(N)=O)CC1
InChIInChI=1S/C11H18N4O2S/c1-17-5-4-11(2-3-11)6-14-10-7(9(13)16)8(12)15-18-10/h14H,2-6H2,1H3,(H2,12,15)(H2,13,16)
InChIKeyZYUXGXDGPWRHBJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.05
Rot. Bonds7

About 3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide

3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide (PubChem CID 114113452) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide
PubChem CID114113452
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide
SMILESCOCCC1(CNc2snc(N)c2C(N)=O)CC1
InChIInChI=1S/C11H18N4O2S/c1-17-5-4-11(2-3-11)6-14-10-7(9(13)16)8(12)15-18-10/h14H,2-6H2,1H3,(H2,12,15)(H2,13,16)
InChIKeyZYUXGXDGPWRHBJ-UHFFFAOYSA-N
XLogP1.05
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide
CID 103384104
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide
CID 114112760
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine
CID 113263918
methyl 3-amino-5-[(1-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103378868
3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
CID 103380049
3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide
CID 114113192
3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382889
3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380656
3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103379243
methyl 3-amino-5-(octylamino)-1,2-thiazole-4-carboxylate
CID 103383798

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide (CID 114113452) is 3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide is COCCC1(CNc2snc(N)c2C(N)=O)CC1.
What is the InChIKey of 3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is ZYUXGXDGPWRHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-17-5-4-11(2-3-11)6-14-10-7(9(13)16)8(12)15-18-10/h14H,2-6H2,1H3,(H2,12,15)(H2,13,16).
What are the key properties of 3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 114113452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).