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

C12H17N3O2S — CID 103382089

IUPACmethyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(CC1CC1)C1CC1
InChIInChI=1S/C12H17N3O2S/c1-17-12(16)9-10(13)14-18-11(9)15(8-4-5-8)6-7-2-3-7/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyWTNNRXKSNNUHBA-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.89
Rot. Bonds5

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

methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103382089) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103382089
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Namemethyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N(CC1CC1)C1CC1
InChIInChI=1S/C12H17N3O2S/c1-17-12(16)9-10(13)14-18-11(9)15(8-4-5-8)6-7-2-3-7/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyWTNNRXKSNNUHBA-UHFFFAOYSA-N
XLogP1.89
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate (CID 103382089) is methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1N(CC1CC1)C1CC1.
What is the InChIKey of methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is WTNNRXKSNNUHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-17-12(16)9-10(13)14-18-11(9)15(8-4-5-8)6-7-2-3-7/h7-8H,2-6H2,1H3,(H2,13,14).
What are the key properties of methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[cyclopropyl(cyclopropylmethyl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103382089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).