4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine

C13H13BrN2OS — CID 174574840

IUPAC4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine
SMILESCOC1(Nc2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C13H13BrN2OS/c1-17-13(6-7-13)16-12-15-11(8-18-12)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyWUOTXBYPLAATIK-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.12
Rot. Bonds4

About 4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine (PubChem CID 174574840) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine
PubChem CID174574840
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine
SMILESCOC1(Nc2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C13H13BrN2OS/c1-17-13(6-7-13)16-12-15-11(8-18-12)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyWUOTXBYPLAATIK-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]cyclobutane-1-carboxylate
CID 86618583
[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
CID 59822262
4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484602
4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole
CID 107924759
1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide
CID 2877699
1-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119266416
4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 1211245
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 3584332
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol
CID 87617935
(2S)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 86618575
4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole
CID 18870687

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine (CID 174574840) is 4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine is COC1(Nc2nc(-c3ccc(Br)cc3)cs2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine?
The InChIKey is WUOTXBYPLAATIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-17-13(6-7-13)16-12-15-11(8-18-12)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine has a molecular weight of 325.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 174574840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).