2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

C13H23N3S2 — CID 62418455

IUPAC2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(CN2CCSCC2)cs1
InChIInChI=1S/C13H23N3S2/c1-11(2)7-14-8-13-15-12(10-18-13)9-16-3-5-17-6-4-16/h10-11,14H,3-9H2,1-2H3
InChIKeyRTHZTLRVPKZCGL-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.44
Rot. Bonds6

About 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62418455) has the molecular formula C13H23N3S2 and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62418455
Molecular FormulaC13H23N3S2
Molecular Weight285.48 g/mol
Exact Mass285.13
IUPAC Name2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(CN2CCSCC2)cs1
InChIInChI=1S/C13H23N3S2/c1-11(2)7-14-8-13-15-12(10-18-13)9-16-3-5-17-6-4-16/h10-11,14H,3-9H2,1-2H3
InChIKeyRTHZTLRVPKZCGL-UHFFFAOYSA-N
XLogP2.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Isopropyl-4-(N-methyl)amino-methyl thiazole
CID 10749687
1-((1,3-Thiazol-4-yl)methyl)piperazine
CID 28781798
1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
CID 16494968
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
CID 28781808
{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
4-(Piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole
CID 53523916
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidine
CID 5019947
2-Isopropyl-4-((N-Methylamino)Methyl)Thiazole Hydrochloride
CID 11622565
alpha-Methyl-2-(1-methylethyl)-4-thiazolemethanamine
CID 21667605
4-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 23404938

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62418455) is 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nc(CN2CCSCC2)cs1.
What is the InChIKey of 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is RTHZTLRVPKZCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S2/c1-11(2)7-14-8-13-15-12(10-18-13)9-16-3-5-17-6-4-16/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62418455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).