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

C15H15N3O3S — CID 86616445

IUPACmethyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C15H15N3O3S/c1-21-14(20)12-11(18-15(16)22-12)8-2-4-9(5-3-8)13(19)17-10-6-7-10/h2-5,10H,6-7H2,1H3,(H2,16,18)(H,17,19)
InChIKeyAFFZHAMAJQDHQH-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.07
Rot. Bonds4

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

methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate (PubChem CID 86616445) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate
PubChem CID86616445
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Namemethyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C15H15N3O3S/c1-21-14(20)12-11(18-15(16)22-12)8-2-4-9(5-3-8)13(19)17-10-6-7-10/h2-5,10H,6-7H2,1H3,(H2,16,18)(H,17,19)
InChIKeyAFFZHAMAJQDHQH-UHFFFAOYSA-N
XLogP2.07
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[4-(cyclopropylcarbamoyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate
CID 86616446
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425
methyl 4-[4-(cyclopropylcarbamoyl)phenyl]-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 74316690
methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate
CID 47485169
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
2-[5-(cyclopropylcarbamoyl)-2-methylanilino]-4-[4-(ethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 142981914
2-amino-N-(1-benzylpiperidin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115704
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate
CID 87074568
N-cyclopropyl-4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxoprop-1-enyl]benzamide
CID 46569043
4-[(2-amino-2-methylpropanoyl)amino]-N-cyclopropylbenzamide
CID 61265004

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate (CID 86616445) is methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N)nc1-c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate?
The InChIKey is AFFZHAMAJQDHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-21-14(20)12-11(18-15(16)22-12)8-2-4-9(5-3-8)13(19)17-10-6-7-10/h2-5,10H,6-7H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate has a molecular weight of 317.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86616445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).