1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea

C20H24N6OS — CID 142682173

IUPAC1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea
SMILESCc1ccc(N(C)c2ccc3nc(NC(=O)NC4CCNCC4)sc3n2)cc1
InChIInChI=1S/C20H24N6OS/c1-13-3-5-15(6-4-13)26(2)17-8-7-16-18(24-17)28-20(23-16)25-19(27)22-14-9-11-21-12-10-14/h3-8,14,21H,9-12H2,1-2H3,(H2,22,23,25,27)
InChIKeyMIULKJWSVLDYDC-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.64
Rot. Bonds4

About 1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea

1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea (PubChem CID 142682173) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea
PubChem CID142682173
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea
SMILESCc1ccc(N(C)c2ccc3nc(NC(=O)NC4CCNCC4)sc3n2)cc1
InChIInChI=1S/C20H24N6OS/c1-13-3-5-15(6-4-13)26(2)17-8-7-16-18(24-17)28-20(23-16)25-19(27)22-14-9-11-21-12-10-14/h3-8,14,21H,9-12H2,1-2H3,(H2,22,23,25,27)
InChIKeyMIULKJWSVLDYDC-UHFFFAOYSA-N
XLogP3.64
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea with MolForge

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Related Compounds

1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea
CID 46988006
N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
CID 87278841
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
5-N-methyl-5-N-(4-methylphenyl)-2-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
CID 90861769
1-(6-methyl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 110676110
2-[6-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 89358736
2-[[6-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methylamino]acetic acid
CID 24772491
[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone
CID 87812811
methyl 3-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]propanoate
CID 87813466
1-[5-(4-chloro-2-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(cyclohexylmethyl)urea
CID 142681980
1-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol
CID 87812835
2-[4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24772298

Frequently Asked Questions

What is the IUPAC name of 1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea?
The IUPAC name of 1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea (CID 142682173) is 1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea.
What is the SMILES notation for 1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea?
The canonical SMILES for 1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea is Cc1ccc(N(C)c2ccc3nc(NC(=O)NC4CCNCC4)sc3n2)cc1.
What is the InChIKey of 1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea?
The InChIKey is MIULKJWSVLDYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-13-3-5-15(6-4-13)26(2)17-8-7-16-18(24-17)28-20(23-16)25-19(27)22-14-9-11-21-12-10-14/h3-8,14,21H,9-12H2,1-2H3,(H2,22,23,25,27).
What are the key properties of 1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea?
1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea has a molecular weight of 396.52 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea is sourced from PubChem (CID 142682173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).