4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C14H15Br2N3OS2 — CID 30135053

IUPAC4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H15Br2N3OS2/c15-10-6-11(22-12(10)16)13(20)18-14-17-9(8-21-14)7-19-4-2-1-3-5-19/h6,8H,1-5,7H2,(H,17,18,20)
InChIKeyGUBRXMAWODYPOT-UHFFFAOYSA-N
MW465.24 g/mol
LogP4.97
Rot. Bonds4

About 4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 30135053) has the molecular formula C14H15Br2N3OS2 and a molecular weight of 465.24 g/mol. Its IUPAC name is 4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID30135053
Molecular FormulaC14H15Br2N3OS2
Molecular Weight465.24 g/mol
Exact Mass462.90
IUPAC Name4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H15Br2N3OS2/c15-10-6-11(22-12(10)16)13(20)18-14-17-9(8-21-14)7-19-4-2-1-3-5-19/h6,8H,1-5,7H2,(H,17,18,20)
InChIKeyGUBRXMAWODYPOT-UHFFFAOYSA-N
XLogP4.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.24
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 78775861
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9169455
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 32863519
3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide
CID 30134855
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 30182915
4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30185625
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 30135053) is 4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is GUBRXMAWODYPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3OS2/c15-10-6-11(22-12(10)16)13(20)18-14-17-9(8-21-14)7-19-4-2-1-3-5-19/h6,8H,1-5,7H2,(H,17,18,20).
What are the key properties of 4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 465.24 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 30135053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).