4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide

C14H18N4O2S — CID 116665362

IUPAC4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCCCOc2ccccc2)s1
InChIInChI=1S/C14H18N4O2S/c1-16-14-18-12(15)11(21-14)13(19)17-8-5-9-20-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyDKSMKYIDNVNJMT-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.97
Rot. Bonds7

About 4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide

4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116665362) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID116665362
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCCCOc2ccccc2)s1
InChIInChI=1S/C14H18N4O2S/c1-16-14-18-12(15)11(21-14)13(19)17-8-5-9-20-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyDKSMKYIDNVNJMT-UHFFFAOYSA-N
XLogP1.97
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439
4-amino-N-(5-amino-5-oxopentyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106242070
4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 116673105
4-amino-N-[2-(furan-2-yl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663748
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
4-methyl-N-(3-phenoxypropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55431404
4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116667308
4-amino-2-(methylamino)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 116663035
4-amino-2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116671150
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106343628
4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268
5-(methylamino)-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 104641118

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide (CID 116665362) is 4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NCCCOc2ccccc2)s1.
What is the InChIKey of 4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DKSMKYIDNVNJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-16-14-18-12(15)11(21-14)13(19)17-8-5-9-20-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).