1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea

C18H20N6OS — CID 118784685

IUPAC1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCc1nc2cc(NC(=O)NC3CCN(c4cnccn4)CC3)ccc2s1
InChIInChI=1S/C18H20N6OS/c1-12-21-15-10-14(2-3-16(15)26-12)23-18(25)22-13-4-8-24(9-5-13)17-11-19-6-7-20-17/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H2,22,23,25)
InChIKeyPJCNDHDPOZQBDJ-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.19
Rot. Bonds3

About 1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea

1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (PubChem CID 118784685) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
PubChem CID118784685
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCc1nc2cc(NC(=O)NC3CCN(c4cnccn4)CC3)ccc2s1
InChIInChI=1S/C18H20N6OS/c1-12-21-15-10-14(2-3-16(15)26-12)23-18(25)22-13-4-8-24(9-5-13)17-11-19-6-7-20-17/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H2,22,23,25)
InChIKeyPJCNDHDPOZQBDJ-UHFFFAOYSA-N
XLogP3.19
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(1-pyrazin-2-ylpiperidin-4-yl)carbamoylamino]benzoate
CID 118790178
1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118779226
1-(2-methyl-1,3-benzothiazol-5-yl)-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]urea
CID 121022906
N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide
CID 46385341
N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 166239062
1-(1,3-benzothiazol-5-yl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 126766366
tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate
CID 25070782
1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]urea
CID 125156208
1-(3,4-dihydroxyphenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)urea
CID 142259708
1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 125163687
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (CID 118784685) is 1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is Cc1nc2cc(NC(=O)NC3CCN(c4cnccn4)CC3)ccc2s1.
What is the InChIKey of 1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The InChIKey is PJCNDHDPOZQBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-12-21-15-10-14(2-3-16(15)26-12)23-18(25)22-13-4-8-24(9-5-13)17-11-19-6-7-20-17/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H2,22,23,25).
What are the key properties of 1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea has a molecular weight of 368.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 118784685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).