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

C18H23N3OS — CID 94119006

IUPAC1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCc1csc(CCNC(=O)N(C)[C@H]2CCCc3ccccc32)n1
InChIInChI=1S/C18H23N3OS/c1-13-12-23-17(20-13)10-11-19-18(22)21(2)16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,12,16H,5,7,9-11H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyRXOQNDDUQHPWOB-INIZCTEOSA-N
MW329.47 g/mol
LogP3.71
Rot. Bonds4

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

1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 94119006) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID94119006
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCc1csc(CCNC(=O)N(C)[C@H]2CCCc3ccccc32)n1
InChIInChI=1S/C18H23N3OS/c1-13-12-23-17(20-13)10-11-19-18(22)21(2)16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,12,16H,5,7,9-11H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyRXOQNDDUQHPWOB-INIZCTEOSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47048720
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8852681
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
CID 47236430
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39709988
1-(2-hydroxyethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111794044
2-[methyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240803
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94017963
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240581
1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 125443735
1-(2-hydroxyethyl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 95789313
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 94119006) is 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is Cc1csc(CCNC(=O)N(C)[C@H]2CCCc3ccccc32)n1.
What is the InChIKey of 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is RXOQNDDUQHPWOB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-12-23-17(20-13)10-11-19-18(22)21(2)16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,12,16H,5,7,9-11H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 329.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 94119006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).