N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine

C15H19N7S — CID 75428486

IUPACN,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(NCc1csc(N(C)C)n1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H19N7S/c1-11(16-8-13-9-23-15(18-13)21(2)3)12-4-6-14(7-5-12)22-10-17-19-20-22/h4-7,9-11,16H,8H2,1-3H3
InChIKeyRDNWZAVJXODHNY-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.04
Rot. Bonds6

About N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine

N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 75428486) has the molecular formula C15H19N7S and a molecular weight of 329.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine
PubChem CID75428486
Molecular FormulaC15H19N7S
Molecular Weight329.43 g/mol
Exact Mass329.14
IUPAC NameN,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(NCc1csc(N(C)C)n1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H19N7S/c1-11(16-8-13-9-23-15(18-13)21(2)3)12-4-6-14(7-5-12)22-10-17-19-20-22/h4-7,9-11,16H,8H2,1-3H3
InChIKeyRDNWZAVJXODHNY-UHFFFAOYSA-N
XLogP2.04
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 61281098
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 28781201
(1R)-N-[(1,1-dioxothian-4-yl)methyl]-1-[4-(tetrazol-1-yl)phenyl]ethanamine
CID 97108380
N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 43195693
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 84595996
N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115726282
N-[(1,1-dioxothiolan-2-yl)methyl]-1-[4-(tetrazol-1-yl)phenyl]ethanamine
CID 75471431
N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine
CID 166283647
1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204738
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
CID 124637262
1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961159
1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961157

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine (CID 75428486) is N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine is CC(NCc1csc(N(C)C)n1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is RDNWZAVJXODHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7S/c1-11(16-8-13-9-23-15(18-13)21(2)3)12-4-6-14(7-5-12)22-10-17-19-20-22/h4-7,9-11,16H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 329.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 75428486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).