methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate

C11H14N4O2S — CID 106218801

IUPACmethyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(C)c2cn[nH]c2)nc1C
InChIInChI=1S/C11H14N4O2S/c1-6(8-4-12-13-5-8)14-11-15-7(2)9(18-11)10(16)17-3/h4-6H,1-3H3,(H,12,13)(H,14,15)
InChIKeyKXSSPXRCYMKVBY-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.13
Rot. Bonds4

About methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate (PubChem CID 106218801) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
PubChem CID106218801
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Namemethyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(C)c2cn[nH]c2)nc1C
InChIInChI=1S/C11H14N4O2S/c1-6(8-4-12-13-5-8)14-11-15-7(2)9(18-11)10(16)17-3/h4-6H,1-3H3,(H,12,13)(H,14,15)
InChIKeyKXSSPXRCYMKVBY-UHFFFAOYSA-N
XLogP2.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-2-(1H-pyrazole-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110466732
methyl 3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophene-2-carboxylate
CID 106218962
methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
CID 114159121
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569883
methyl 2-(1-ethoxypropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569652
methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 154733975
methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 82115430
1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one
CID 106218908
1-[3-amino-4-methoxy-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]ethanone
CID 106218937
methyl 4-chloro-2-[1-(4-methylsulfonylphenyl)ethylamino]-1,3-thiazole-5-carboxylate
CID 51124729
methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 79832555
methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 61478614

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate (CID 106218801) is methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(C)c2cn[nH]c2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is KXSSPXRCYMKVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-6(8-4-12-13-5-8)14-11-15-7(2)9(18-11)10(16)17-3/h4-6H,1-3H3,(H,12,13)(H,14,15).
What are the key properties of methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 266.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 106218801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).