N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

C16H30N4S — CID 62764465

IUPACN,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCN(C)CC2)sc1CNCC(C)C
InChIInChI=1S/C16H30N4S/c1-12(2)10-17-11-15-13(3)18-16(21-15)20(5)14-6-8-19(4)9-7-14/h12,14,17H,6-11H2,1-5H3
InChIKeyCIGYMBJDBIONTL-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.73
Rot. Bonds6

About N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62764465) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62764465
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCN(C)CC2)sc1CNCC(C)C
InChIInChI=1S/C16H30N4S/c1-12(2)10-17-11-15-13(3)18-16(21-15)20(5)14-6-8-19(4)9-7-14/h12,14,17H,6-11H2,1-5H3
InChIKeyCIGYMBJDBIONTL-UHFFFAOYSA-N
XLogP2.73
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 78944233
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
N-cyclopentyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63514472
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62751228
N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63234496
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767216
N,N-dimethyl-N'-[4-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766692
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768282

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 62764465) is N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is Cc1nc(N(C)C2CCN(C)CC2)sc1CNCC(C)C.
What is the InChIKey of N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is CIGYMBJDBIONTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-12(2)10-17-11-15-13(3)18-16(21-15)20(5)14-6-8-19(4)9-7-14/h12,14,17H,6-11H2,1-5H3.
What are the key properties of N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 310.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62764465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).