N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C14H19BrN2S2 — CID 114364174

IUPACN-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(-c2cc(Br)cs2)sc1CNC(C)C
InChIInChI=1S/C14H19BrN2S2/c1-4-5-11-13(7-16-9(2)3)19-14(17-11)12-6-10(15)8-18-12/h6,8-9,16H,4-5,7H2,1-3H3
InChIKeyXXDGVNUHIASBGP-UHFFFAOYSA-N
MW359.36 g/mol
LogP5.08
Rot. Bonds6

About N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114364174) has the molecular formula C14H19BrN2S2 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114364174
Molecular FormulaC14H19BrN2S2
Molecular Weight359.36 g/mol
Exact Mass358.02
IUPAC NameN-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(-c2cc(Br)cs2)sc1CNC(C)C
InChIInChI=1S/C14H19BrN2S2/c1-4-5-11-13(7-16-9(2)3)19-14(17-11)12-6-10(15)8-18-12/h6,8-9,16H,4-5,7H2,1-3H3
InChIKeyXXDGVNUHIASBGP-UHFFFAOYSA-N
XLogP5.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.36
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841657
N-[[2-(3-bromophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364270
N-[[2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364132
N-[[2-(2-bromo-5-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107924104
N-[[2-(1-methylpyrazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364134
N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364114
N-[[2-(3-bromo-5-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841562
N-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62764846
N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366575
[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 116885720
N-[[2-(3-bromo-5-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363835
N-[[2-(3,5-dibromo-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363849

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114364174) is N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCc1nc(-c2cc(Br)cs2)sc1CNC(C)C.
What is the InChIKey of N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is XXDGVNUHIASBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2S2/c1-4-5-11-13(7-16-9(2)3)19-14(17-11)12-6-10(15)8-18-12/h6,8-9,16H,4-5,7H2,1-3H3.
What are the key properties of N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 359.36 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114364174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).