N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine

C15H30N4S — CID 62753392

IUPACN,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1ncc(CNC(C)C)s1
InChIInChI=1S/C15H30N4S/c1-12(2)11-19(8-7-18(5)6)15-17-10-14(20-15)9-16-13(3)4/h10,12-13,16H,7-9,11H2,1-6H3
InChIKeyCIQCTHRSRARHRT-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.67
Rot. Bonds9

About N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine

N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine (PubChem CID 62753392) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
PubChem CID62753392
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC NameN,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1ncc(CNC(C)C)s1
InChIInChI=1S/C15H30N4S/c1-12(2)11-19(8-7-18(5)6)15-17-10-14(20-15)9-16-13(3)4/h10,12-13,16H,7-9,11H2,1-6H3
InChIKeyCIQCTHRSRARHRT-UHFFFAOYSA-N
XLogP2.67
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine (CID 62753392) is N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine is CC(C)CN(CCN(C)C)c1ncc(CNC(C)C)s1.
What is the InChIKey of N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine?
The InChIKey is CIQCTHRSRARHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-12(2)11-19(8-7-18(5)6)15-17-10-14(20-15)9-16-13(3)4/h10,12-13,16H,7-9,11H2,1-6H3.
What are the key properties of N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine?
N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine has a molecular weight of 298.50 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 62753392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).