5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide

C16H22N6O3S — CID 66679258

IUPAC5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
SMILESCN(C)CCCNC(=O)Nc1snc(OCc2cccnc2)c1C(N)=O
InChIInChI=1S/C16H22N6O3S/c1-22(2)8-4-7-19-16(24)20-15-12(13(17)23)14(21-26-15)25-10-11-5-3-6-18-9-11/h3,5-6,9H,4,7-8,10H2,1-2H3,(H2,17,23)(H2,19,20,24)
InChIKeyJVJVJWJDVRQBSR-UHFFFAOYSA-N
MW378.46 g/mol
LogP1.29
Rot. Bonds9

About 5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide

5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide (PubChem CID 66679258) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
PubChem CID66679258
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
SMILESCN(C)CCCNC(=O)Nc1snc(OCc2cccnc2)c1C(N)=O
InChIInChI=1S/C16H22N6O3S/c1-22(2)8-4-7-19-16(24)20-15-12(13(17)23)14(21-26-15)25-10-11-5-3-6-18-9-11/h3,5-6,9H,4,7-8,10H2,1-2H3,(H2,17,23)(H2,19,20,24)
InChIKeyJVJVJWJDVRQBSR-UHFFFAOYSA-N
XLogP1.29
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 11740674
5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 10365483
5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 10094351
5-[3-[bis(2-hydroxyethyl)amino]propylcarbamoylamino]-3-[(2,3-dichloro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxamide
CID 68509601
3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methoxy]-5-[3-(dimethylamino)propylcarbamoylamino]-1,2-thiazole-4-carboxamide
CID 154429875
5-[4-(dimethylamino)butylcarbamoylamino]-3-[(2,5,6-trifluoro-6-methylcyclohexa-2,4-dien-1-yl)methoxy]-1,2-thiazole-4-carboxamide
CID 154429868
3-[(2,4-difluorophenyl)methoxy]-5-[6-(dimethylamino)hexylcarbamoylamino]-1,2-thiazole-4-carboxylic acid
CID 18550146
3-[(2,5-dichlorophenyl)methoxy]-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54422898
3-[(2,5-difluoro-4-methylphenyl)methoxy]-5-[3-(pyridin-2-ylamino)propylcarbamoylamino]-1,2-thiazole-4-carboxamide
CID 54485579
1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
5-[2-(butan-2-ylamino)ethylcarbamoylamino]-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide
CID 68507353

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide (CID 66679258) is 5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide is CN(C)CCCNC(=O)Nc1snc(OCc2cccnc2)c1C(N)=O.
What is the InChIKey of 5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The InChIKey is JVJVJWJDVRQBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c1-22(2)8-4-7-19-16(24)20-15-12(13(17)23)14(21-26-15)25-10-11-5-3-6-18-9-11/h3,5-6,9H,4,7-8,10H2,1-2H3,(H2,17,23)(H2,19,20,24).
What are the key properties of 5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 1.29, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 66679258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).