1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea

C23H25ClN6O2S — CID 155968935

IUPAC1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea
SMILESO=C(NCC1CCCCN1C(=O)Cc1csc(Nc2ccc(Cl)cn2)n1)Nc1ccccc1
InChIInChI=1S/C23H25ClN6O2S/c24-16-9-10-20(25-13-16)29-23-28-18(15-33-23)12-21(31)30-11-5-4-8-19(30)14-26-22(32)27-17-6-2-1-3-7-17/h1-3,6-7,9-10,13,15,19H,4-5,8,11-12,14H2,(H,25,28,29)(H2,26,27,32)
InChIKeyKOOFGHPVDAFVEP-UHFFFAOYSA-N
MW485.01 g/mol
LogP4.68
Rot. Bonds7

About 1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea

1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea (PubChem CID 155968935) has the molecular formula C23H25ClN6O2S and a molecular weight of 485.01 g/mol. Its IUPAC name is 1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea
PubChem CID155968935
Molecular FormulaC23H25ClN6O2S
Molecular Weight485.01 g/mol
Exact Mass484.14
IUPAC Name1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea
SMILESO=C(NCC1CCCCN1C(=O)Cc1csc(Nc2ccc(Cl)cn2)n1)Nc1ccccc1
InChIInChI=1S/C23H25ClN6O2S/c24-16-9-10-20(25-13-16)29-23-28-18(15-33-23)12-21(31)30-11-5-4-8-19(30)14-26-22(32)27-17-6-2-1-3-7-17/h1-3,6-7,9-10,13,15,19H,4-5,8,11-12,14H2,(H,25,28,29)(H2,26,27,32)
InChIKeyKOOFGHPVDAFVEP-UHFFFAOYSA-N
XLogP4.68
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea with MolForge

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Related Compounds

1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea
CID 43996948
1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922318
1-[[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 86881246
1-[[1-[4-(methylamino)butanoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728803
1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride
CID 119728830
1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728833
2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
CID 82030624
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 43996922
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone
CID 30941985
1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea
CID 133397025
1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
CID 120902751

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea (CID 155968935) is 1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea is O=C(NCC1CCCCN1C(=O)Cc1csc(Nc2ccc(Cl)cn2)n1)Nc1ccccc1.
What is the InChIKey of 1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea?
The InChIKey is KOOFGHPVDAFVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2S/c24-16-9-10-20(25-13-16)29-23-28-18(15-33-23)12-21(31)30-11-5-4-8-19(30)14-26-22(32)27-17-6-2-1-3-7-17/h1-3,6-7,9-10,13,15,19H,4-5,8,11-12,14H2,(H,25,28,29)(H2,26,27,32).
What are the key properties of 1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea?
1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea has a molecular weight of 485.01 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 155968935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).