5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C14H18N2OS — CID 63296287

IUPAC5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(CNC2=NCC(C3CC3)S2)cc1
InChIInChI=1S/C14H18N2OS/c1-17-12-6-2-10(3-7-12)8-15-14-16-9-13(18-14)11-4-5-11/h2-3,6-7,11,13H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyZAJRYPNTNVCXES-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.67
Rot. Bonds4

About 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296287) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296287
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(CNC2=NCC(C3CC3)S2)cc1
InChIInChI=1S/C14H18N2OS/c1-17-12-6-2-10(3-7-12)8-15-14-16-9-13(18-14)11-4-5-11/h2-3,6-7,11,13H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyZAJRYPNTNVCXES-UHFFFAOYSA-N
XLogP2.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 658531
N-tert-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296741
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
5-cyclopropyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296803
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296241
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 10728405
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 63296287) is 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(CNC2=NCC(C3CC3)S2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZAJRYPNTNVCXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-17-12-6-2-10(3-7-12)8-15-14-16-9-13(18-14)11-4-5-11/h2-3,6-7,11,13H,4-5,8-9H2,1H3,(H,15,16).
What are the key properties of 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).