N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine

C16H30N4S — CID 61206615

IUPACN,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC2CCN(C(C)C)C2)s1
InChIInChI=1S/C16H30N4S/c1-5-19(6-2)16-18-11-15(21-16)10-17-9-14-7-8-20(12-14)13(3)4/h11,13-14,17H,5-10,12H2,1-4H3
InChIKeyKYQTYDDNOAUNPM-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.81
Rot. Bonds8

About N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 61206615) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID61206615
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC2CCN(C(C)C)C2)s1
InChIInChI=1S/C16H30N4S/c1-5-19(6-2)16-18-11-15(21-16)10-17-9-14-7-8-20(12-14)13(3)4/h11,13-14,17H,5-10,12H2,1-4H3
InChIKeyKYQTYDDNOAUNPM-UHFFFAOYSA-N
XLogP2.81
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 60856533
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
CID 106124874
3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
CID 103699816
N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
CID 95354246
N,N-diethyl-5-[[(1-methylpiperidin-3-yl)amino]methyl]-1,3-thiazol-2-amine
CID 61211415
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961852
N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 62351902
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79482761
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 113342046
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine (CID 61206615) is N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCC2CCN(C(C)C)C2)s1.
What is the InChIKey of N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is KYQTYDDNOAUNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-5-19(6-2)16-18-11-15(21-16)10-17-9-14-7-8-20(12-14)13(3)4/h11,13-14,17H,5-10,12H2,1-4H3.
What are the key properties of N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 310.51 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 61206615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).