N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine

C12H18N4S — CID 79091151

IUPACN,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNn2cccc2)s1
InChIInChI=1S/C12H18N4S/c1-3-15(4-2)12-13-9-11(17-12)10-14-16-7-5-6-8-16/h5-9,14H,3-4,10H2,1-2H3
InChIKeyRTBHWBJMFYKWQD-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.53
Rot. Bonds6

About N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 79091151) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID79091151
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNn2cccc2)s1
InChIInChI=1S/C12H18N4S/c1-3-15(4-2)12-13-9-11(17-12)10-14-16-7-5-6-8-16/h5-9,14H,3-4,10H2,1-2H3
InChIKeyRTBHWBJMFYKWQD-UHFFFAOYSA-N
XLogP2.53
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 298680
5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715084
5-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione
CID 18709106
[5-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-1H-pyrrol-2-yl]cyanamide
CID 90945481
2-(2-Methylsulfanylpyrrol-1-yl)-1,3-thiazole
CID 166959186
4-(4-pyrrol-1-yl-2H-tetrazol-3-yl)-1,3-thiazole
CID 173581204
N,N-diethyl-5-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 61284687
N,N-diethyl-5-[[(2-methylpyrazol-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61808978
N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
CID 79046737
N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
CID 79046859
N-[(1-ethylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
CID 79047576
4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine
CID 79089739

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine (CID 79091151) is N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNn2cccc2)s1.
What is the InChIKey of N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is RTBHWBJMFYKWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-15(4-2)12-13-9-11(17-12)10-14-16-7-5-6-8-16/h5-9,14H,3-4,10H2,1-2H3.
What are the key properties of N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79091151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).