1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C18H21N3OS — CID 95907898

IUPAC1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(N[C@H](c1nccs1)C1CC1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H21N3OS/c22-18(21-16(13-8-9-13)17-19-10-11-23-17)20-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,10-11,13,15-16H,3,5,7-9H2,(H2,20,21,22)/t15-,16+/m1/s1
InChIKeyWAQJVZJDVREJQJ-CVEARBPZSA-N
MW327.45 g/mol
LogP3.97
Rot. Bonds4

About 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 95907898) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID95907898
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(N[C@H](c1nccs1)C1CC1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H21N3OS/c22-18(21-16(13-8-9-13)17-19-10-11-23-17)20-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,10-11,13,15-16H,3,5,7-9H2,(H2,20,21,22)/t15-,16+/m1/s1
InChIKeyWAQJVZJDVREJQJ-CVEARBPZSA-N
XLogP3.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71985733
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111506905
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 102558679
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51957654
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 111540388
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea
CID 96527501
(2S,3R)-3-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 104966185
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235599
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 95907898) is 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is O=C(N[C@H](c1nccs1)C1CC1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is WAQJVZJDVREJQJ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-18(21-16(13-8-9-13)17-19-10-11-23-17)20-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,10-11,13,15-16H,3,5,7-9H2,(H2,20,21,22)/t15-,16+/m1/s1.
What are the key properties of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 327.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 95907898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).