N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C15H19BrClN3S — CID 62287934

IUPACN-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cnc(N(C)Cc2csc(Br)c2)c(Cl)c1
InChIInChI=1S/C15H19BrClN3S/c1-10(2)18-6-11-4-13(17)15(19-7-11)20(3)8-12-5-14(16)21-9-12/h4-5,7,9-10,18H,6,8H2,1-3H3
InChIKeyBQCWMNRUMZLDGR-UHFFFAOYSA-N
MW388.76 g/mol
LogP4.69
Rot. Bonds6

About N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62287934) has the molecular formula C15H19BrClN3S and a molecular weight of 388.76 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62287934
Molecular FormulaC15H19BrClN3S
Molecular Weight388.76 g/mol
Exact Mass387.02
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cnc(N(C)Cc2csc(Br)c2)c(Cl)c1
InChIInChI=1S/C15H19BrClN3S/c1-10(2)18-6-11-4-13(17)15(19-7-11)20(3)8-12-5-14(16)21-9-12/h4-5,7,9-10,18H,6,8H2,1-3H3
InChIKeyBQCWMNRUMZLDGR-UHFFFAOYSA-N
XLogP4.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.76
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine with MolForge

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Related Compounds

WIN 2876 hydrochloride
CID 114027
3-({[(5-chloro-2-thienyl)methyl]amino}methyl)-N,N-diethyl-2-pyridinamine
CID 29256257
1-[2-(5-Bromo-2-thienyl)ethyl]-3-(5-chloro-2-pyridyl)thiourea
CID 3003355
3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 75524894
3-Chloro-2-[1-(thiophen-2-ylmethyl)pyrrol-1-ium-1-yl]-5-(trifluoromethyl)pyridine
CID 91246624
N'-[(2-bromothiophen-3-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 114028
N'-[(2-chlorothiophen-3-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 114030
3-chloro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 29043401
3-chloro-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43093048
3-chloro-N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43397765
3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 55021270
N-[(5-bromothiophen-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 56436904

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62287934) is N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1cnc(N(C)Cc2csc(Br)c2)c(Cl)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is BQCWMNRUMZLDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3S/c1-10(2)18-6-11-4-13(17)15(19-7-11)20(3)8-12-5-14(16)21-9-12/h4-5,7,9-10,18H,6,8H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 388.76 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62287934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).