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

C14H25N3S2 — CID 62766928

IUPACN,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCSC2)sc1CNCC(C)C
InChIInChI=1S/C14H25N3S2/c1-10(2)7-15-8-13-11(3)16-14(19-13)17(4)12-5-6-18-9-12/h10,12,15H,5-9H2,1-4H3
InChIKeyMQFKYYOXLLWNQK-UHFFFAOYSA-N
MW299.51 g/mol
LogP3.14
Rot. Bonds6

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

N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 62766928) has the molecular formula C14H25N3S2 and a molecular weight of 299.51 g/mol. Its IUPAC name is N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID62766928
Molecular FormulaC14H25N3S2
Molecular Weight299.51 g/mol
Exact Mass299.15
IUPAC NameN,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCSC2)sc1CNCC(C)C
InChIInChI=1S/C14H25N3S2/c1-10(2)7-15-8-13-11(3)16-14(19-13)17(4)12-5-6-18-9-12/h10,12,15H,5-9H2,1-4H3
InChIKeyMQFKYYOXLLWNQK-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117368
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117415
5-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117845
5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117891
N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117893
N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117942
N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766815
N-ethyl-5-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766816
N-ethyl-4-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766817
5-[(cyclopropylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766986
5-[(tert-butylamino)methyl]-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62766987
N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767162

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine (CID 62766928) is N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine is Cc1nc(N(C)C2CCSC2)sc1CNCC(C)C.
What is the InChIKey of N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is MQFKYYOXLLWNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S2/c1-10(2)7-15-8-13-11(3)16-14(19-13)17(4)12-5-6-18-9-12/h10,12,15H,5-9H2,1-4H3.
What are the key properties of N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 299.51 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).