1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C13H13Br2N3S — CID 114367037

IUPAC1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ncc(Br)cc2Br)nc1C1CC1
InChIInChI=1S/C13H13Br2N3S/c1-16-6-10-11(7-2-3-7)18-13(19-10)12-9(15)4-8(14)5-17-12/h4-5,7,16H,2-3,6H2,1H3
InChIKeyGMMPPSKJMNJUGY-UHFFFAOYSA-N
MW403.14 g/mol
LogP4.33
Rot. Bonds4

About 1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114367037) has the molecular formula C13H13Br2N3S and a molecular weight of 403.14 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114367037
Molecular FormulaC13H13Br2N3S
Molecular Weight403.14 g/mol
Exact Mass400.92
IUPAC Name1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ncc(Br)cc2Br)nc1C1CC1
InChIInChI=1S/C13H13Br2N3S/c1-16-6-10-11(7-2-3-7)18-13(19-10)12-9(15)4-8(14)5-17-12/h4-5,7,16H,2-3,6H2,1H3
InChIKeyGMMPPSKJMNJUGY-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.14
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367537
1-[4-cyclopropyl-2-(3,5-dimethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366921
1-[2-(3,5-dibromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368392
1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103083903
N-[[2-(3,5-dibromo-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363849
1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366957
N-[[2-(5-bromo-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367294
1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 114367052
1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107932051
1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82437361
1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367019
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114367037) is 1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ncc(Br)cc2Br)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is GMMPPSKJMNJUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3S/c1-16-6-10-11(7-2-3-7)18-13(19-10)12-9(15)4-8(14)5-17-12/h4-5,7,16H,2-3,6H2,1H3.
What are the key properties of 1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 403.14 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114367037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).