ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride

C10H17ClN4O2S — CID 18694344

IUPACethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCCc1nc(N=C(N)N)sc1C(=O)OCC.Cl
InChIInChI=1S/C10H16N4O2S.ClH/c1-3-5-6-7(8(15)16-4-2)17-10(13-6)14-9(11)12;/h3-5H2,1-2H3,(H4,11,12,13,14);1H
InChIKeyQRCVPJFZMMEDMF-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.60
Rot. Bonds5

About ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride

ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 18694344) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID18694344
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC Nameethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCCc1nc(N=C(N)N)sc1C(=O)OCC.Cl
InChIInChI=1S/C10H16N4O2S.ClH/c1-3-5-6-7(8(15)16-4-2)17-10(13-6)14-9(11)12;/h3-5H2,1-2H3,(H4,11,12,13,14);1H
InChIKeyQRCVPJFZMMEDMF-UHFFFAOYSA-N
XLogP1.60
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(diaminomethylideneamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 53404567
ethyl 2-(diaminomethylideneamino)-4-phenyl-1,3-thiazole-5-carboxylate;hydrobromide
CID 18322831
ethyl 2-(diaminomethylideneamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 23545949
ethyl 3-[[2-[[2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carbonyl]amino]acetyl]amino]-3-phenylpropanoate
CID 54119285
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
2-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]guanidine
CID 59590154
N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide
CID 163924311
ethyl 4-(2-ethoxy-2-oxoethyl)-2-iodo-1,3-thiazole-5-carboxylate
CID 69484699
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 2893977
diethyl 5-propyl-1,2,4-triazine-3,6-dicarboxylate
CID 102379589
ethyl 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 58934113

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride (CID 18694344) is ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride is CCCc1nc(N=C(N)N)sc1C(=O)OCC.Cl.
What is the InChIKey of ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is QRCVPJFZMMEDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S.ClH/c1-3-5-6-7(8(15)16-4-2)17-10(13-6)14-9(11)12;/h3-5H2,1-2H3,(H4,11,12,13,14);1H.
What are the key properties of ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride?
ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 292.79 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 18694344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).