4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine

C10H15BrN2OS — CID 104696672

IUPAC4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine
SMILESBrc1csc(NCCCOCC2CC2)n1
InChIInChI=1S/C10H15BrN2OS/c11-9-7-15-10(13-9)12-4-1-5-14-6-8-2-3-8/h7-8H,1-6H2,(H,12,13)
InChIKeyGZEDBTTXUCAKNR-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.13
Rot. Bonds7

About 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine

4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine (PubChem CID 104696672) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine
PubChem CID104696672
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine
SMILESBrc1csc(NCCCOCC2CC2)n1
InChIInChI=1S/C10H15BrN2OS/c11-9-7-15-10(13-9)12-4-1-5-14-6-8-2-3-8/h7-8H,1-6H2,(H,12,13)
InChIKeyGZEDBTTXUCAKNR-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-phenoxypropyl)-1,3-thiazol-2-amine
CID 79400626
3-[(4-bromo-1,3-thiazol-2-yl)amino]propan-1-ol
CID 79399606
4-bromo-N-octyl-1,3-thiazol-2-amine
CID 115568968
4-bromo-N-(2-but-3-enoxyethyl)-1,3-thiazol-2-amine
CID 106405047
2-(4-bromothiophen-2-yl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide
CID 55929254
6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid
CID 79400565
methyl 2-[3-(cyclopropylmethoxy)propylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 114098755
4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide
CID 154795317
2-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693263
methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
CID 114098751
N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 114098440
4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine
CID 79400384

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine (CID 104696672) is 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine is Brc1csc(NCCCOCC2CC2)n1.
What is the InChIKey of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine?
The InChIKey is GZEDBTTXUCAKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c11-9-7-15-10(13-9)12-4-1-5-14-6-8-2-3-8/h7-8H,1-6H2,(H,12,13).
What are the key properties of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine?
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine has a molecular weight of 291.21 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 104696672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).