N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C15H31N3S — CID 107153702

IUPACN-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)CC1CN=C(NCCN(C(C)C)C(C)C)S1
InChIInChI=1S/C15H31N3S/c1-11(2)9-14-10-17-15(19-14)16-7-8-18(12(3)4)13(5)6/h11-14H,7-10H2,1-6H3,(H,16,17)
InChIKeyDISPQDSQNHPSMQ-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.21
Rot. Bonds7

About N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 107153702) has the molecular formula C15H31N3S and a molecular weight of 285.50 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID107153702
Molecular FormulaC15H31N3S
Molecular Weight285.50 g/mol
Exact Mass285.22
IUPAC NameN-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)CC1CN=C(NCCN(C(C)C)C(C)C)S1
InChIInChI=1S/C15H31N3S/c1-11(2)9-14-10-17-15(19-14)16-7-8-18(12(3)4)13(5)6/h11-14H,7-10H2,1-6H3,(H,16,17)
InChIKeyDISPQDSQNHPSMQ-UHFFFAOYSA-N
XLogP3.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 107153702) is N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)CC1CN=C(NCCN(C(C)C)C(C)C)S1.
What is the InChIKey of N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is DISPQDSQNHPSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3S/c1-11(2)9-14-10-17-15(19-14)16-7-8-18(12(3)4)13(5)6/h11-14H,7-10H2,1-6H3,(H,16,17).
What are the key properties of N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 285.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 107153702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).