N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

C21H26N4OS — CID 59225678

IUPACN-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(CCCN(C)C)cc2OCc2ccccc2)n1
InChIInChI=1S/C21H26N4OS/c1-16-15-27-21(23-16)24-20-19(26-14-17-8-5-4-6-9-17)12-18(13-22-20)10-7-11-25(2)3/h4-6,8-9,12-13,15H,7,10-11,14H2,1-3H3,(H,22,23,24)
InChIKeyQQKJXTXJQODGME-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.66
Rot. Bonds9

About N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 59225678) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID59225678
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(CCCN(C)C)cc2OCc2ccccc2)n1
InChIInChI=1S/C21H26N4OS/c1-16-15-27-21(23-16)24-20-19(26-14-17-8-5-4-6-9-17)12-18(13-22-20)10-7-11-25(2)3/h4-6,8-9,12-13,15H,7,10-11,14H2,1-3H3,(H,22,23,24)
InChIKeyQQKJXTXJQODGME-UHFFFAOYSA-N
XLogP4.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 59225651
N-(5-benzyl-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 86639683
4-methyl-N-(5-methyl-3-phenylmethoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 59225669
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 72702870
N-[5-[3-(dimethylamino)prop-1-enyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 173066450
N-[5-[(E)-3-(dimethylamino)prop-1-enyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 86639688
4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 16660841
4-methyl-N-[5-(morpholin-4-ylmethyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 86639686
1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone
CID 16661005
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 87374565
4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 24765373

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (CID 59225678) is N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(CCCN(C)C)cc2OCc2ccccc2)n1.
What is the InChIKey of N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is QQKJXTXJQODGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-16-15-27-21(23-16)24-20-19(26-14-17-8-5-4-6-9-17)12-18(13-22-20)10-7-11-25(2)3/h4-6,8-9,12-13,15H,7,10-11,14H2,1-3H3,(H,22,23,24).
What are the key properties of N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 382.53 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(dimethylamino)propyl]-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 59225678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).