methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate

C10H15N3O2S — CID 103379639

IUPACmethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(C)CC1CC1
InChIInChI=1S/C10H15N3O2S/c1-13(5-6-3-4-6)9-7(10(14)15-2)8(11)12-16-9/h6H,3-5H2,1-2H3,(H2,11,12)
InChIKeyRAOHYUYZXJWQDP-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.36
Rot. Bonds4

About methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate

methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103379639) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103379639
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(C)CC1CC1
InChIInChI=1S/C10H15N3O2S/c1-13(5-6-3-4-6)9-7(10(14)15-2)8(11)12-16-9/h6H,3-5H2,1-2H3,(H2,11,12)
InChIKeyRAOHYUYZXJWQDP-UHFFFAOYSA-N
XLogP1.36
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[methyl(oxan-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103381952
methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103382089
ethyl 3-amino-5-[cyclohexylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103380786
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380792
ethyl 3-amino-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103381836
methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103384743
ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103380752
ethyl 3-amino-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379749
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103509520
methyl 3-amino-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103380339
3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381988

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate (CID 103379639) is methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1N(C)CC1CC1.
What is the InChIKey of methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is RAOHYUYZXJWQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13(5-6-3-4-6)9-7(10(14)15-2)8(11)12-16-9/h6H,3-5H2,1-2H3,(H2,11,12).
What are the key properties of methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103379639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).